(4R,6aS,6bR,10S,12aS)-10-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylic acid
Molecular Formula:
C38H61NO8
InChI: InChI=1/C38H61NO8/c1-20(41)39-29-31(43)30(42)25(19-40)46-33(29)47-28-13-14-36(6)26(35(28,4)5)12-16-38(8)27(36)10-9-24-22-17-34(2,3)18-23(32(44)45)21(22)11-15-37(24,38)7/h9,21-23,25-31,33,40,42-43H,10-19H2,1-8H3,(H,39,41)(H,44,45)/t21u,22u,23-,25-,26u,27u,28+,29-,30-,31-,33+,36+,37-,38-/m1/s1/f/h39,44H
InChIKey: InChIKey=IRFGOAXIDQRBIK-QRIXEJHZDP
SMILES: CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6C5CC(CC6C(=O)O)(C)C)C)C)C)CO)O)O
Names:
(4R,6aS,6bR,10S,12aS)-10-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylic acid
Registries:
PubChem CID 2817982
PubChem ID 3277545
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