Clerodendrin A
Molecular Formula:
C31H42O12
InChI: InChI=1/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1
InChIKey: InChIKey=NXKWGKNTUFLKGN-NLDKIVAHBC
SMILES: CCC(C)(C(=O)OC1C(CC2C(C(=CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5C=COC5O4)O)OC(=O)C
Names:
Clerodendrin A
C09074
35481-70-0
[(1R,2S,3R,4aR,5S,8S,8aS)-8-acetyloxy-8a-(acetyloxymethyl)-5-[(1S,5R,7S)-4,6-dioxabicyclo[3.3.0]oct-2-en-7-yl]-3-hydroxy-5,6-dimethyl-spiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methyl-butanoate
Registries:
PubChem CID 442013
PubChem ID 11266
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