AG00G25V

78574-94-4 | 9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-,(3b,6a,16b,20R,24S)-

AG00G25V

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CAS Number	78574-94-4
Catalog Number	AG00G25V(AGN-PC-0UDLWJ)
Chemical Name	9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-,(3b,6a,16b,20R,24S)-
IUPAC Name	(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
InChI	InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1
InChI Key	WENNXORDXYGDTP-UOUCMYEWSA-N
MDL Number	MFCD24849201
Molecular Formula	C30H50O5
Molecular Weight	490.7150
SMILES	O[C@@H](C1)[C@H]([C@]2(C)O[C@H](C(C)(O)C)CC2)[C@]3(C)[C@]1(C)[C@]4([H])C[C@H](O)[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]56[C@]4(C6)CC3
UNII	X37D9F2L0V
Synonyms	astramembrangenin, cycloastragenol, cyclogalegigenin, GRN510, Cycloastragenol, Astramembrangenin, 78574-94-4, UNII-X37D9F2L0V, Cyclogalegigenin, X37D9F2L0V, Cycloastragenol, >=98% (HPLC), (3beta,6alpha,9beta,16beta,20R,24S)-20,24-epoxy-9,19-cyclolanostane-3,6,16,25-tetrol, 84605-18-5, Cyclosiversigenin, SCHEMBL365107, CHEBI:71314, KS-00000TRY, WENNXORDXYGDTP-UOUCMYEWSA-, MFCD24849201, ZINC68248924, AKOS030524082, DS-19394, C3469, (3beta,6alpha,16beta,20R,24S)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol, (2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyltetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-4,7,9-triol, (3beta,6alpha,16beta,20R,24S)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol / Astramembrangenin, InChI=1/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1, ACN-047761,

Complexity	916
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	0
Exact Mass	490.366g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	490.725g/mol
Monoisotopic Mass	490.366g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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