Vitas-M small molecule compound
(8xi)-3-(acetyloxy)carda-14,16,20(22)-trienolide
Catalog ID
STL528116
SMILES CC(=O)OC1CC[C@]2(C(C1)CCC1[C@@H]2CC[C@]2(C1=CC=C2C1=CC(=O)OC1)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 C25H32O4 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O4/c1-15(26)29-18-8-10-24(2)17(13-18)4-5-19-21-7-6-20(16-12-23(27)28-14-16)25(21,3)11-9-22(19)24/h6-7,12,17-19,22H,4-5,8-11,13-14H2,1-3H3/t17?,18?,19?,22-,24-,25+/m0/s1InChIKey
SVPNYAGEEKDKCQ-FYSDMVAHSA-NSynonyms
((9~(S)10~(S)13~(S))1013dimethyl17(5oxo2~(H)furan3yl)234567891112decahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(3S5R8R9S10S13S)1013dimethyl17(5oxo25dihydrofuran3yl)2345678910111213dodecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi)3(acetyloxy)carda141620(22)trienolide
135639366
CC(=O)O(C@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2(C1=CC=C2C1=CC(=O)OC1)C)C
InChI=1SC25H32O4c115(26)291881024(2)17(1318)4519217620(161223(27)281416)25(213)11922(19)24h6712171922H458111314H213H3t17?18?19?222425+m0s1
MFCD03849874
ZINC000002146180
ZINC001772492360
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