Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl decanoate
Catalog ID
STL526724
SMILES CCCCCCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H50O3 MW 470.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-29(33)34-24-17-19-30(3)23(21-24)13-14-25-27-16-15-26(22(2)32)31(27,4)20-18-28(25)30/h15,23-25,27-28H,5-14,16-21H2,1-4H3/t23-,24?,25?,27?,28?,30-,31+/m0/s1InChIKey
LSIDWNBKDSCZRU-SWRMLIGDSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)decanoate
(3S5S8R9S10S13S14S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3yldecanoate
(5alpha8xi9xi14xi)20oxopregn16en3yldecanoate
44667325
CCCCCCCCCC(=O)O(C@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC=C2C(=O)C)C)C
InChI=1SC31H50O3c15678910111229(33)3424171930(3)23(2124)13142527161526(22(2)32)31(274)201828(25)30h1523252728H5141621H214H3t2324?25?27?28?3031+m0s1
MFCD03005751
ZINC000253501652
ZINC000253501659
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