Chem
J-GLOBAL ID：200907008364181400   Nikkaji number：J973.063J

(4α,5α,8α,9S,10β,11R,13S,16S)-1β-Acetoxy-6α-hydroxy-7β-(cinnamoyloxy)-11,16:15,16-diepoxyclerodane-19-one

(4α,5α,8α,9S,10β,11R,13S,16S)-1β-アセトキシ-6α-ヒドロキシ-7β-(シンナモイルオキシ)-11,16:15,16-ジエポキシクレロダン-19-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H40O8
Molecular formula furigana： C31-H40-O8
Molecular weight： 540.653
InChI： InChI=1S/C31H40O8/c1-18-26(39-25(34)13-10-20-8-6-5-7-9-20)28(35)31(4)22(17-32)11-12-23(37-19(2)33)27(31)30(18,3)24-16-21-14-15-36-29(21)38-24/h5-10,13,17-18,21-24,26-29,35H,11-12,14-16H2,1-4H3/b13-10+/t18-,21+,22+,23-,24-,26-,27-,28+,29+,30-,31+/m1/s1
InChI key： KCELORWVKJNPJG-SPWOOOMZSA-N
SMILES： C[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@]2(C)[C@@H](CC[C@@H](OC(=O)C)[C@@H]2[C@@]1(C)[C@H]1C[C@@H]2CCO[C@H]2O1)C=O
Systematic name  (3)：
  • (4α,5α,8α,9S,10β,11R,13S,16S)-1β-アセトキシ-6α-ヒドロキシ-7β-(シンナモイルオキシ)-11,16:15,16-ジエポキシクレロダン-19-オン
  • (1R,2R,3S,4S,4aS,5R,8R,8aR)-4-[(2R,3aS,6aS)-ヘキサヒドロフロ[2,3-b]フラン-2-イル]-5-(アセチルオキシ)-8-ホルミル-1-ヒドロキシ-3,4,8a-トリメチル-デカヒドロナフタレン-2-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1R,2R,3S,4S,4aS,5R,8R,8aR)-4-[(2R,3aS,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5-(acetyloxy)-8-formyl-1-hydroxy-3,4,8a-trimethyl-decahydronaphthalen-2-yl (2E)-3-phenylprop-2-enoate
Other name (1)：
  • (4α,5α,8α,9S,10β,11R,13S,16S)-1β-Acetoxy-6α-hydroxy-7β-(cinnamoyloxy)-11,16:15,16-diepoxyclerodane-19-one
Thsaurus map：
Thesaurus Map

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