Vitas-M small molecule compound
3-chlorophenyl (3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl carbonate
Catalog ID
STL548353
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)Oc1cccc(c1)Cl)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 C34H49ClO3 MW 541.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H49ClO3/c1-22(2)8-6-9-23(3)29-14-15-30-28-13-12-24-20-27(38-32(36)37-26-11-7-10-25(35)21-26)16-18-33(24,4)31(28)17-19-34(29,30)5/h7,10-12,21-23,27-31H,6,8-9,13-20H2,1-5H3/t23?,27-,28?,29?,30?,31?,33-,34+/m0/s1InChIKey
BWDHJMMHZUYTAB-CZLPSTIJSA-NSynonyms
(3chlorophenyl)((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)carbonate
135639787
3chlorophenyl((3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)carbonate
3chlorophenyl(3beta8xi9xi14xi17xi20xi)cholest5en3ylcarbonate
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)Oc1cccc(c1)Cl)C)C
InChI=1SC34H49ClO3c122(2)86923(3)29141530281312242027(3832(36)37261171025(35)2126)161833(244)31(28)171934(2930)5h7101221232731H6891320H215H3t23?2728?29?30?31?3334+m0s1
ZINC000251352729
ZINC001772492795
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