Chem
J-GLOBAL ID：200907085183358478   Nikkaji number：J973.048F

Scuterepenin A2

スクテレペニンA2
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： C29H38O9
Molecular formula furigana： C29-H38-O9
Molecular weight： 530.614
InChI： InChI=1S/C29H38O9/c1-17-22(38-21(32)10-9-18-7-5-4-6-8-18)24(33)27(3)23(19(31)11-12-29(27,35)16-30)26(17,2)20-15-28(34)13-14-36-25(28)37-20/h4-10,17,20,22-25,30,33-35H,11-16H2,1-3H3/b10-9-/t17-,20+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChI key： SSGMCFZDCBCCCK-XJGJZSJSSA-N
SMILES： C[C@@H]1[C@@H](OC(=O)/C=C\c2ccccc2)[C@H](O)[C@]2(C)[C@H](C(=O)CC[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)-4,6α,13,19-テトラヒドロキシ-7β-(cis-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,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]-1,8-ジヒドロキシ-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 (2Z)-3-フェニルプロパ-2-エノアート
  • (1R,2R,3S,4S,4aR,8R,8aS)-4-[(2S,3aR,6aS)-3a-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-1,8-dihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-decahydronaphthalen-2-yl (2Z)-3-phenylprop-2-enoate
Other name (3)：
  • (5α,8α,9S,10β,11S,13R,16S)-4,6α,13,19-Tetrahydroxy-7β-(cis-cinnamoyloxy)-11,16:15,16-diepoxyclerodane-1-one
  • スクテレペニンA2
  • Scuterepenin A2
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