Benzeneacetic acid, 3a,4,6a,7,8,9,10,10b-octahydro-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-3-oxobenz(e)azulene-7,8,10a(3H)-triyl ester, (3aR-(3aalpha,6aalpha,7beta,8beta,10beta,10abeta,10bbeta))-

CAS

83920-75-6

標準SMILES

C=C(C)[C@@]1(OC(=O)Cc2ccccc2)C[C@@H](C)[C@@]2(OC(=O)Cc3ccccc3)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]1OC(=O)Cc1ccccc1

InChIKey

JUKHCPKAEQLYPM-KNYBIEIFSA-N

分子式

C44H46O9

平均分子量

718.8 g/mol

単同位体質量

718.31418304

優先名称

Benzeneacetic acid, 3a,4,6a,7,8,9,10,10b-octahydro-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-3-oxobenz(e)azulene-7,8,10a(3H)-triyl ester, (3aR-(3aalpha,6aalpha,7beta,8beta,10beta,10abeta,10bbeta))-

IUPAC

[(3aR,6aS,7R,8S,10R,10aR,10bR)-3a-hydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-8,10a-bis[(2-phenylacetyl)oxy]-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate

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