Vitas-M small molecule compound
(8xi,14xi,17xi)-3,16-bis(acetyloxy)-14-hydroxycard-20(22)-enolide
Catalog ID
STL525634
SMILES CC(=O)OC1CC2([C@](C1C1=CC(=O)OC1)(C)CC[C@H]1C2CCC2[C@]1(C)CCC(C2)OC(=O)C)O
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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)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18?,19?,20-,21?,22?,24?,25-,26+,27?/m0/s1InChIKey
ANNNOIZFDGPVNC-VPACOLDBSA-NSynonyms
((9~(S)10~(S)13~(R))16acetyloxy14hydroxy1013dimethyl17(5oxo2~(H)furan3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(8xi14xi17xi)316bis(acetyloxy)14hydroxycard20(22)enolide
(9S10S13R)14hydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene316diyldiacetate
16396753
CC(=O)OC1CC2((C@)(C1C1=CC(=O)OC1)(C)CC(C@H)1C2CCC2(C@)1(C)CCC(C2)OC(=O)C)O
InChI=1SC27H38O7c115(28)33197925(3)18(1219)562120(25)81026(4)24(171123(30)321417)22(3416(2)29)1327(2126)31h1118222431H5101214H214H3t18?19?2021?22?24?2526+27?m0s1
MFCD02058497
ZINC000002242737
ZINC000253498893
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