Vitas-M small molecule compound
(8xi,14xi)-17-hydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
Catalog ID
STL525463
SMILES CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)C=C[C@]12C
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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 C23H28O5 MW 384.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h6-7,9,12,17,19,27H,4-5,8,10-11,13H2,1-3H3/t17?,19?,21-,22-,23-/m0/s1InChIKey
SBUSWJGDMXBNFJ-SQIVGGFUSA-NSynonyms
4380-55-6(2((10~(S)13~(S)17~(R))17hydroxy1013dimethyl3oxo7812141516hexahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi)17hydroxy320dioxopregna149(11)trien21ylacetate
2((8S10S13S14S17R)17hydroxy1013dimethyl3oxo67810121314151617decahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
4380556
53492055
CC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC=C1(C@H)2CCC2=CC(=O)C=C(C@)12C
InChI=1SC23H28O5c114(24)281320(26)23(27)118191754151216(25)6921(152)18(17)71022(1923)3h67912171927H458101113H213H3t17?19?212223m0s1
MFCD01547315
ZINC000004083976
ZINC000005383218
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