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| CAS Number | 83-46-5 |
| Catalog Number | AG004ROG(AGN-PC-0OITVE) |
| Chemical Name | β-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChI Key | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| MDL Number | MFCD00003631 |
| Molecular Formula | C29H50O |
| Molecular Weight | 414.7067 |
| SMILES | CC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |
| UNII | S347WMO6M4 |
| Synonyms | 24-ethylcholest-5-en-3 beta-ol,
24-ethylcholesterol,
3beta-sitosterol,
3beta-stigmast-5-en-3-ol,
beta-sitosterol,
clionasterol,
gamma-sitosterol,
Harzol,
sitosterol,
sitosterol, (3beta)-isomer,
sitosterol, (3beta,24xi)-isomer,
sitosterol, 26-(14)C-labeled,
stigmast-5-en-3-ol, (3beta,24S)-,
BETA-SITOSTEROL,
Sitosterol,
83-46-5,
Cupreol,
Azuprostat,
Quebrachol,
22,23-Dihydrostigmasterol,
Triastonal,
Cinchol,
Rhamnol,
Harzol,
beta-Sitosterin,
alpha-Dihydrofucosterol,
Nimbosterol,
Stigmast-5-en-3beta-ol,
B-Sitosterol,
Sito-Lande,
(-)-beta-Sitosterol,
(3beta)-Stigmast-5-en-3-ol,
.beta.-Sitosterol,
Angelicin (steroid),
24alpha-Ethylcholesterol,
a-Dihydrofucosterol,
.beta.-Sitosterin,
Phytosterol,
Prostasal,
NSC8096,
(24R)-Stigmast-5-en-3beta-ol,
SITOSTEROL, BETA,
.alpha.-Dihydrofucosterol,
(24R)-Ethylcholest-5-en-3beta-ol,
SKF 14463,
24.alpha.-Ethylcholesterol,
Stigmast-5-en-3-ol,
Stigmast-5-en-3.beta.-ol,
UNII-S347WMO6M4,
Betaprost,
Sobatum,
CHEMBL221542,
S347WMO6M4,
Stigmasterol, 22,23-dihydro-,
CHEBI:27693,
Stigmast-5-en-3-ol, (3b)-,
C29H50O,
Stigmast-5-en-3-ol, (3beta)-,
NSC49083,
Stigmasterol,23-dihydro-,
Stigmast-5-en-3-ol, (3.beta.)-,
MFCD00003631,
Steroids, hydroxy,
24beta-Ethylcholesterol,
5-Stigmasten-3beta-ol,
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,
14-((1S,4R)-4-ethyl-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol,
64997-52-0,
24-alpha-Ethylcholesterol,
Stigmast-5-en-3-beta-ol,
delta5-Stigmasten-3-beta-ol,
SR-05000002307,
68555-08-8,
CCRIS 5529,
(3-beta)-Stigmast-5-en-3-ol,
beta Sitosterol,
Sitosterol beta,
a-Phytosterol,
NSC 8096,
ss-Sitosterol,
b-Sitosterin,
beta-Phytosterol,
Beta-sistosterol,
EINECS 201-480-6,
ss--Sitosterol,
alpha-Phytosterol,
.beta.Sitosterin,
.beta.Sitosterol,
CAS-83-46-5,
Refined soy sterol,
NCGC00095716-01,
(-)-b-Sitosterol,
AI3-26020,
Harzol (TN),
24a-Ethylcholesterol,
alpha.Dihydrofucosterol,
D5-Stigmasten-3b-ol,
Stigmast-5-en-3b-ol,
AC1L5BKV,
Prestwick0_000985,
Prestwick1_000985,
Prestwick2_000985,
Prestwick3_000985,
Delta5-Stigmasten-3b-ol,
stigmast-5-ene-3beta-ol,
DSSTox_CID_2481,
bmse000477,
beta-Sitosterol, >=70%,
beta-Sitosterol (Synthetic),
DSSTox_RID_76601,
BIDD:PXR0121,
DSSTox_GSID_22481,
SCHEMBL16105,
22,23-dihydro-Stigmasterol,
BSPBio_001049,
ARONIS24293,
BIDD:ER0636,
SPBio_002950,
BPBio1_001155,
MEGxp0_001710,
Soybean oil sterols phytosterols,
DTXSID5022481,
(24R)-Stigmast-5-en-3b-ol,
ACon1_000287,
CTK3E8043,
BBC/449,
KZJWDPNRJALLNS-VJSFXXLFSA-N,
HMS1571E11,
HMS2098E11,
(24R)-Ethylcholest-5-en-3b-ol,
(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol,
24-Ethylcholest-5-en-3.beta.-ol,
HY-N0171,
NSC-8096,
NSC18173,
ZINC4095717,
beta-Sitosterol, analytical standard,
EINECS 271-413-3,
Tox21_111514,
ANW-41688,
BDBM50218197,
beta-Sitosterol, synthetic, >=95%,
LMST01040129,
NSC-18173,
NSC-49083,
s2273,
SBB012603,
AKOS005267194,
CCG-208334,
CS-6009,
MCULE-2409753351,
beta-Sitosterol, from soybean, >=96%,
SMP1_000274,
NCGC00142598-02,
NCGC00142598-03,
AC-24183,
AN-24063,
AN-38045,
BC201729,
M047,
NCI60_041777,
SC-19725,
SC-57983,
ST069312,
AB0015024,
LS-195633,
TR-037936,
AB00513984,
N1688,
S0040,
C01753,
D08518,
I06-1624,
Q-200712,
SR-05000002307-2,
SR-05000002307-3,
8295076E-C876-4B41-ADF5-02A644EEA34F,
beta-Sitosterol, analytical standard, from soybean, >=40%,
beta-Sitosterol, primary pharmaceutical reference standard,
UNII-3OE0DD1I5J component KZJWDPNRJALLNS-VJSFXXLFSA-N,
UNII-B46B6DD20U component KZJWDPNRJALLNS-VJSFXXLFSA-N,
UNII-D083681CDS component KZJWDPNRJALLNS-VJSFXXLFSA-N,
Beta-sitosterol, European Pharmacopoeia (EP) Reference Standard,
beta-Sitosterol, United States Pharmacopeia (USP) Reference Standard,
beta-Sitosterol, certified reference material, 100 mug/mL in chloroform,
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,
(3S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol,
Angelicin,
|A-Sitosterol,
Clionasterol,
?-Sitosterol,
?Sitosterol,
|A-Sitosterin,
STIGMASTEROL,
Angelicin (VAN),
beta-Dihydrofucosterol,
GAMMA-SITOSTEROL,
| cent-SITOSTEROL,
SITOSTEROL, BETA-,
D0Y7LD,
BETAMETHASONE VALERATE,
UNII-5LI01C78DD,
EINECS 201-481-1,
C29-H50-O,
CID222284,
NSC 18173,
(3beta,24S)-Stigmast-5-en-3-ol,
(3-beta,24S)-Stigmast-5-en-3-ol,
ACN-035268,
Stigmast-5-en-3-ol, (3beta,24S)-,
Stigmast-5-en-3-ol, (3.beta.,24S)-,
beta-Sitosterol, 98%, from Zea mays L. - 25MG 25mg,
5779-62-4,
83-47-6,
|
| Complexity | 634 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.386g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.718g/mol |
| Monoisotopic Mass | 414.386g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.3 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P261-P304+P340+P312-P305+P351+P338-P308+P313-P403+P233 |
| UN Code | UN 1888 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

