Chem
J-GLOBAL ID：200907062077600227   Nikkaji number：J2.003.657E

Sugikurojin B

スギクロジン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： C41H58O3
Molecular formula furigana： C41-H58-O3
Molecular weight： 598.912
InChI： InChI=1S/C41H58O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h14-15,20-25,34-37,42H,12-13,16-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1
InChI key： OPWBFTHPRICVFB-OKDLLEDBSA-N
SMILES： CO[C@@H]1[C@H](Oc2cc3c(C=C[C@H]4C(C)(C)CCC[C@]34C)cc2C(C)C)[C@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(cc12)C(C)C
Systematic name  (3)：
  • 6α-(アビエタ-6,8(14),9(11),12-テトラエン-12-イルオキシ)-7α-メトキシアビエタ-8(14),9(11),12-トリエン-12-オール
  • (4bS,8aS,9R,10S)-9-{[(4bS,8aS)-4b,8,8-トリメチル-2-(プロパン-2-イル)-4b,5,6,7,8,8a-ヘキサヒドロフェナントレン-3-イル]オキシ}-10-メトキシ-4b,8,8-トリメチル-2-(プロパン-2-イル)-4b,5,6,7,8,8a,9,10-オクタヒドロフェナントレン-3-オール
  • (4bS,8aS,9R,10S)-9-{[(4bS,8aS)-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a-hexahydrophenanthren-3-yl]oxy}-10-methoxy-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol
Other name (3)：
  • 6α-(Abieta-6,8(14),9(11),12-tetrene-12-yloxy)-7α-methoxyabieta-8(14),9(11),12-triene-12-ol
  • スギクロジンB
  • Sugikurojin B
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