Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi)-3-hydroxy-20,24-epoxychol-5-en-24-one
Catalog ID
STK774415
SMILES O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2[C@@]2(C)CCC(=O)O2)C)C1)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 C24H36O3 MW 372.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h4,16-20,25H,5-14H2,1-3H3/t16-,17?,18?,19?,20?,22-,23-,24?/m0/s1InChIKey
KYUZKRJIOGSDGT-GRDGQSAPSA-NSynonyms
(3beta8xi9xi14xi17xi)3hydroxy2024epoxychol5en24one
5((3S10R13S)3hydroxy1013dimethyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren17yl)5methyloxolan2one
CC12CCC3C(C1CCC2C4(CCC(=O)O4)C)CC=C5C3(CCC(C5)O)C
InChI=1SC24H36O3c12211816(25)1415(22)4517186720(23(182)12919(17)22)24(3)131021(26)2724h4162025H514H213H3t1617?18?19?20?222324?m0s1
MFCD04220882
O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2(C@@)2(C)CCC(=O)O2)C)C1)C
ZINC000006525828
ZINC000013362225
ZINC000253498555
ZINC000253534588
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