Chem
J-GLOBAL ID：200907027292026060   Nikkaji number：J2.284.461J

Sugikurojin H

スギクロジンH
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： C35H54O3
Molecular formula furigana： C35-H54-O3
Molecular weight： 522.813
InChI： InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1
InChI key： FOWUQUQIDYYMAT-TUGUJQRKSA-N
SMILES： CC(C)[C@@H]1CC[C@](C)(O)[C@]2(O)CCC(=C[C@@H]12)C[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(cc12)C(C)C
Systematic name  (3)：
  • 7α-[[(4aS)-4aα,5β-ジヒドロキシ-5-メチル-8β-イソプロピル-3,4,4a,5,6,7,8,8aβ-オクタヒドロナフタレン-2-イル]メチル]-8,11,13-アビエタトリエン-12-オール
  • (1S,4S,4aR,8aS)-6-{[(4aS,9S,10aS)-6-ヒドロキシ-1,1,4a-トリメチル-7-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-9-イル]メチル}-1-メチル-4-(プロパン-2-イル)-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン-1,8a-ジオール
  • (1S,4S,4aR,8aS)-6-{[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-yl]methyl}-1-methyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,8a-diol
Other name (3)：
  • 7α-[[(4aS)-4aα,5β-Dihydroxy-5-methyl-8β-isopropyl-3,4,4a,5,6,7,8,8aβ-octahydronaphthalene-2-yl]methyl]-8,11,13-abietatriene-12-ol
  • スギクロジンH
  • Sugikurojin H
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