Musennin

Molecular Formula: C51H82O21


InChI: InChI=1/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44-,48-,49+,50+,51+/m0/s1/f/h63H

InChIKey: InChIKey=ZMEIKTTXONUYNX-ZWVUSXDDDC
SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C

Names:
    C08960
    Musennin
    (4aR,5R,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    25480-74-4

Registries:
    PubChem CID 441933
    PubChem ID 11152