Vitas-M small molecule compound
(8xi,14xi,17xi)-3,12-bis(acetyloxy)-14-hydroxycard-20(22)-enolide
Catalog ID
STL525483
SMILES CC(=O)OC1C[C@H]2C(C3([C@@]1(C)C(CC3)C1=CC(=O)OC1)O)CCC1[C@]2(C)CCC(C1)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 C27H38O7 MW 474.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-22(25)13-23(34-16(2)29)26(4)20(8-10-27(21,26)31)17-11-24(30)32-14-17/h11,18-23,31H,5-10,12-14H2,1-4H3/t18?,19?,20?,21?,22-,23?,25-,26-,27?/m0/s1InChIKey
PERJXZOIRVHGPJ-HFGASMOFSA-NSynonyms
((9~(S)10~(S)13~(S))12acetyloxy14hydroxy1013dimethyl17(5oxo2~(H)furan3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3S5S8R10S12R13S14S17R)14hydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene312diyldiacetate
(8xi14xi17xi)312bis(acetyloxy)14hydroxycard20(22)enolide
135639062
CC(=O)O(C@@H)1CC2(C@H)((C@@)3((C@@)1(C)(C@H)(CC3)C1=CC(=O)OC1)O)CC(C@@H)1(C@)2(C)CC(C@@H)(C1)OC(=O)C
InChI=1SC27H38O7c115(28)33197925(3)18(1219)562122(25)1323(3416(2)29)26(4)20(81027(2126)31)171124(30)321417h11182331H5101214H214H3t18?19?20?21?2223?252627?m0s1
MFCD02059043
ZINC000002034216
ZINC001772491965
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