Vitas-M small molecule compound
(8xi,9xi,14xi)-pregn-4-ene-3,17,20-triyl triacetate
Catalog ID
STL548679
SMILES CC(=O)OC1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(OC(=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 C27H40O6 MW 460.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40O6/c1-16(31-17(2)28)27(33-19(4)30)14-11-24-22-8-7-20-15-21(32-18(3)29)9-12-25(20,5)23(22)10-13-26(24,27)6/h15-16,21-24H,7-14H2,1-6H3/t16?,21?,22?,23?,24?,25-,26-,27-/m0/s1InChIKey
GPFQIFZERGQIHH-YKYZEWJCSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyloxy17(1acetyloxyethyl)1013dimethyl12367891112141516dodecahydrocyclopenta(a)phenanthren3yl)acetate
(3S8R9S10R13S14S17R)17((R)1acetoxyethyl)1013dimethyl2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate
(8xi9xi14xi)pregn4ene31720triyltriacetate
135639794
CC(=O)O(C@H)1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(OC(=O)C)C(OC(=O)C)C)C)C
InChI=1SC27H40O6c116(3117(2)28)27(3319(4)30)1411242287201521(3218(3)29)91225(205)23(22)101326(2427)6h15162124H714H216H3t16?21?22?23?24?252627m0s1
MFCD01881087
ZINC001772492812
ZINC001772492815
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