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二羟丙茶碱B(细胞毒素)
Coronarin B
3H-1,2-Dioxepin-5-carboxaldehyde, 7-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-4,7-dihydro-3-hydroxy-, (7S)-, Coronarin B, (7S)-3-Hydroxy-7-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-4,7-dihydro-3H-1,2-dioxepine-5-carbaldehyde
CAS号: 119188-38-4
IUPAC名称: 7-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
分子式: C20H30O4
分子量: 334.450
InChI: InChI=1S/C20H30O4/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)24-23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3
InChIKey: FTQNGEYQJGYGFY-UHFFFAOYSA-N
SMILES: CC1(CCCC2(C1CCC(=C)C2C3C=C(CC(OO3)O)C=O)C)C
EINECS: -
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