Lanceotoxin A
Molecular Formula:
C32H44O12
InChI: InChI=1/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1
InChIKey: InChIKey=IDZGCABQJKWSHL-GSMIIGJLBS
SMILES: CC(C(C(C(C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)OC(=O)C)O)C5=COC(=O)C=C5)C)C=O)O)O)O)O
Names:
C08872
Lanceotoxin A
93771-82-5
[(3S,5S,8R,9S,10R,13R,14S,17S)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate
Registries:
PubChem CID 441863
PubChem ID 11065
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