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AG01CCPD

545-46-0 | Urs-12-ene-3,28-diol, (3b)-

AG01CCPD

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CAS Number	545-46-0
Catalog Number	AG01CCPD(AGN-PC-0SHL2E)
Chemical Name	Urs-12-ene-3,28-diol, (3b)-
EC Number	208-888-3
IUPAC Name	(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
InChI	InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChI Key	XUARCIYIVXVTAE-ZAPOICBTSA-N
MDL Number	MFCD00009620
Molecular Formula	C30H50O2
Molecular Weight	442.7168
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO
UNII	W599R31ROT
Synonyms	urs-12-ene-3 beta,28-diol, uvaol, Uvaol, 545-46-0, Urs-12-ene-3beta,28-diol, Urs-12-ene-3,28-diol, UNII-W599R31ROT, CHEMBL399873, W599R31ROT, CHEBI:67894, (3beta)-Urs-12-ene-3,28-diol, MFCD00009620, (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol, EINECS 208-888-3, NSC 159627, AC1L3OV7, Uvaol, >=95%, SCHEMBL337913, BCBcMAP01_000233, 3-beta,28-Dihydroxy-urs-12-ene, (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-Hydroxymethyl-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol, ZINC3978797, BDBM50218196, AKOS016036269, (3.beta.)-Urs-12-ene-3,28-diol, SMP1_000309, AN-45803, ST097776, Urs-12-ene-3,28-diol, (3.beta.), W2619, 545U460, SR-05000002219, SR-05000002219-2, (1S,7S,15S,16S,20S,2R,5R,10R,11R,17R)-20-(hydroxymethyl)-1,2,6,6,10,16,17-hept amethylpentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-ol, (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol, D09OWE, 12-Ursen-3-beta,28-diol, C30H50O2, CID92802, ACN-057341, C30-H50-O2,

Complexity	799
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	442.381g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	442.728g/mol
Monoisotopic Mass	442.381g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.4

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Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited