Chem
J-GLOBAL ID：200907064670090475   Nikkaji number：J973.050H

Scuterepenin C1

スクテレペニンC1
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： C29H36O8
Molecular formula furigana： C29-H36-O8
Molecular weight： 512.599
InChI： InChI=1S/C29H36O8/c1-17-22(32)24(37-21(31)10-9-18-7-5-4-6-8-18)27(3)23(19(30)11-12-29(27)16-35-29)26(17,2)20-15-28(33)13-14-34-25(28)36-20/h4-10,17,20,22-25,32-33H,11-16H2,1-3H3/b10-9+/t17-,20+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChI key： HPGBLSXJZNOZKS-DWUIOTQISA-N
SMILES： C[C@@H]1[C@@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@H](C(=O)CC[C@@]32CO3)[C@@]1(C)[C@@H]1C[C@]2(O)CCO[C@H]2O1
Systematic name  (3)：
  • (5α,8α,9S,10β,11S,13R,16S)-7β,13-ジヒドロキシ-6α-(シンナモイルオキシ)-4,19:11,16:15,16-トリエポキシクレロダン-1-オン
  • (1R,4aR,5S,6S,7R,8R,8aS)-5-[(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]-7-ヒドロキシ-5,6,8a-トリメチル-4-オキソ-オクタヒドロ-2H-スピロ[ナフタレン-1,2'-オキシラン]-8-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1R,4aR,5S,6S,7R,8R,8aS)-5-[(2S,3aR,6aS)-3a-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-7-hydroxy-5,6,8a-trimethyl-4-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8-yl (2E)-3-phenylprop-2-enoate
Other name (3)：
  • (5α,8α,9S,10β,11S,13R,16S)-7β,13-Dihydroxy-6α-(cinnamoyloxy)-4,19:11,16:15,16-triepoxyclerodan-1-one
  • スクテレペニンC1
  • Scuterepenin C1
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