Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-3,17-dihydroxy-16-methyl-20-oxopregnan-21-yl acetate
Catalog ID
STL524771
SMILES OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(=O)COC(=O)C)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 C24H38O5 MW 406.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H38O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h14,16-20,26,28H,5-13H2,1-4H3/t14-,16+,17?,18?,19?,20?,22+,23+,24+/m1/s1InChIKey
WAFWZVAYLWXGLG-CJQPDRPWSA-NSynonyms
(2((5~(S)10~(S)13~(S)16~(R)17~(R))317dihydroxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(5alpha8xi9xi14xi16alpha)317dihydroxy16methyl20oxopregnan21ylacetate
135638980
2((3S5S8R9S10S13S14S16R17R)317dihydroxy101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
InChI=1SC24H38O5c11411201865161217(26)7922(163)19(18)81023(204)24(1428)21(27)132915(2)25h1416202628H513H214H3t1416+17?18?19?20?22+23+24+m1s1
MFCD01545350
O(C@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@H)((C@)2(O)C(=O)COC(=O)C)C)C)C
ZINC000005528255
ZINC001772491893
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