Bougainvillein-r-I

Molecular Formula: C30H36N2O18


InChI: InChI=1/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18+,19+,20+,21+,22-,23-,24+,25+,29-,30+/m0/s1/f/h31,35,41,43H

InChIKey: InChIKey=JFSHCYUNIKQIPE-YBTOAMQBDW
SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

Names:
    Bougainvillein-r-I
    C08541
    (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindole-2-carboxylate
    30513-63-4

Registries:
    PubChem CID 11953903
    PubChem ID 10734