Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregnane-3,17,21-triyl triacetate
Catalog ID
STL525241
SMILES CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)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 C27H40O7 MW 476.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40O7/c1-16(28)32-15-24(31)27(34-18(3)30)13-10-23-21-7-6-19-14-20(33-17(2)29)8-11-25(19,4)22(21)9-12-26(23,27)5/h19-23H,6-15H2,1-5H3/t19-,20?,21?,22?,23?,25-,26-,27-/m0/s1InChIKey
SBURZDFPMKNMGZ-YENCTXQGSA-NSynonyms
(2((5~(S)10~(S)13~(S)17~(R))317diacetyloxy1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(3R5S8R9S10S13S14S17R)17(2acetoxyacetyl)1013dimethylhexadecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate
(5alpha8xi9xi14xi)20oxopregnane31721triyltriacetate
135639037
CC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@H)(C2)OC(=O)C)OC(=O)C
InChI=1SC27H40O7c116(28)321524(31)27(3418(3)30)1310232176191420(3317(2)29)81125(194)22(21)91226(2327)5h1923H615H215H3t1920?21?22?23?252627m0s1
MFCD01547615
ZINC001772491664
ZINC001772491667
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