Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl 4-methylphenyl carbonate
Catalog ID
STL548051
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)Oc1ccc(cc1)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 C35H52O3 MW 520.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52O3/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-28(38-33(36)37-27-13-10-24(3)11-14-27)18-20-34(26,5)32(29)19-21-35(30,31)6/h10-14,23,25,28-32H,7-9,15-22H2,1-6H3/t25?,28-,29?,30?,31?,32?,34-,35+/m0/s1InChIKey
VNPVPBNWCMOXJZ-NMXMVNTRSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(4methylphenyl)carbonate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl4methylphenylcarbonate
(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylptolylcarbonate
122170102
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)Oc1ccc(cc1)C)C)C
InChI=1SC35H52O3c123(2)87925(4)30161731291512262228(3833(36)3727131024(3)111427)182034(265)32(29)192135(3031)6h101423252832H791522H216H3t25?2829?30?31?32?3435+m0s1
ZINC000409414434
ZINC000409414438
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