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AG00B5NW

Name: Obtusifoliol
Brand: Angene Chemical
SKU: AG00B5NW

16910-32-0 | Obtusifoliol

Chemical structure of Obtusifoliol, CAS 16910-32-0

AG00B5NW

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CAS Number	16910-32-0
Catalog Number	AG00B5NW(AGN-PC-0O4SBW)
Chemical Name	Obtusifoliol
IUPAC Name	(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
InChI	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChI Key	MMNYKQIDRZNIKT-VSADUBDNSA-N
MDL Number	MFCD13621590
Molecular Formula	C30H50O
Molecular Weight	426.7174
SMILES	O[C@H]1CC[C@]2(C)C3=C([C@]4(C)CC[C@H]([C@@H](CCC(C(C)C)=C)C)[C@@]4(C)CC3)CC[C@@]2([H])[C@@H]1C
UNII	3RH57E39ER
Synonyms	4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol, obtusifoliol, Obtusifoliol, UNII-3RH57E39ER, 16910-32-0, 3RH57E39ER, 4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol, 4alpha,14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol, 4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol, AC1L22WJ, CHEMBL481434, SCHEMBL2511101, DTXSID60168650, MMNYKQIDRZNIKT-VSADUBDNSA-N, 5.alpha.-Ergosta-8,24(28)-dien-3.beta.-ol, 4.alpha.,14-dimethyl-, LMST01030101, Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3.beta.,4.alpha.,5.alpha.)-, C01943, 4a,14a-dimethyl-5a-ergosta-8,24(28)-dien-3b-ol, EECD77B7-C927-4E6E-B634-DEDFB042A6B9, 4.alpha.,14.alpha.-Dimethyl-5.alpha.-ergosta-8,24(28)-dien-3.beta.-ol, Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-, 4,14-Dimethylergosta-8,24(28)-dien-3-ol, (3.beta.,4.alpha.,5.alpha.)-, (3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol, CID65252, C30-H50-O,

Complexity	746
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	426.386g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	426.729g/mol
Monoisotopic Mass	426.386g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9

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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