Chem
J-GLOBAL ID：200907096493180603   Nikkaji number：J973.049D

Scuterepenin B

スクテレペニンB
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： C29H38O10
Molecular formula furigana： C29-H38-O10
Molecular weight： 546.613
InChI： InChI=1S/C29H38O10/c1-16-22(39-20(32)10-9-17-7-5-4-6-8-17)24(34)27(3)23(21(33)18(31)13-29(27,36)15-30)26(16,2)19-14-28(35)11-12-37-25(28)38-19/h4-10,16,18-19,22-25,30-31,34-36H,11-15H2,1-3H3/b10-9+/t16-,18+,19+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChI key： ARHYTIGRXUYMMP-HLUSZKARSA-N
SMILES： C[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@]2(C)[C@H](C(=O)[C@@H](O)C[C@]2(O)CO)[C@@]1(C)[C@@H]1C[C@]2(O)CCO[C@H]2O1
Systematic name  (3)：
  • (5α,8α,9S,10β,11S,13R,16S)-2α,4,6α,13,19-ペンタヒドロキシ-7β-(シンナモイルオキシ)-11,16:15,16-ジエポキシクレロダン-1-オン
  • (1R,2R,3S,4S,4aR,6S,8R,8aS)-4-[(2S,3aR,6aS)-3a-ヒドロキシ-ヘキサヒドロフロ[2,3-b]フラン-2-イル]-1,6,8-トリヒドロキシ-8-(ヒドロキシメチル)-3,4,8a-トリメチル-5-オキソ-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,4aR,6S,8R,8aS)-4-[(2S,3aR,6aS)-3a-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-1,6,8-trihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-decahydronaphthalen-2-yl (2E)-3-phenylprop-2-enoate
Other name (3)：
  • (5α,8α,9S,10β,11S,13R,16S)-2α,4,6α,13,19-Pentahydroxy-7β-(cinnamoyloxy)-11,16:15,16-diepoxyclerodan-1-one
  • スクテレペニンB
  • Scuterepenin B
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