Chem
J-GLOBAL ID：200907045262603559   Nikkaji number：J2.003.658C

Sugikurojin C

スギクロジンC
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： C40H56O4
Molecular formula furigana： C40-H56-O4
Molecular weight： 600.884
InChI： InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32+,33-,34-,35-,36-,39+,40+/m0/s1
InChI key： JZYNFCPCWFSNOL-LXBJXQDPSA-N
SMILES： CC(C)c1cc2[C@H]3O[C@H]4[C@@H](O[C@@H]3[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O)c1cc(C(C)C)c(O)cc1[C@@]1(C)CCCC(C)(C)[C@H]41
Systematic name  (3)：
  • 6α,7β-[オキシ(12-ヒドロキシアビエタ-8(14),9(11),12-トリエン-7α,6α-ジイル)オキシ]アビエタ-8(14),9(11),12-トリエン-12-オール
  • (1R,3S,10S,15S,16R,18R,25S,30S)-10,14,14,25,29,29-ヘキサメチル-6,21-ビス(プロパン-2-イル)-2,17-ジオキサヘプタシクロ[16.12.0.03,16.04,9.010,15.019,24.025,30]トリアコンタ-4,6,8,19(24),20,22-ヘキサエン-7,22-ジオール
  • (1R,3S,10S,15S,16R,18R,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-bis(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19(24),20,22-hexaene-7,22-diol
Other name (3)：
  • 6α,7β-[Oxy(12-hydroxyabieta-8(14),9(11),12-triene-7α,6α-diyl)oxy]abieta-8(14),9(11),12-triene-12-ol
  • スギクロジンC
  • Sugikurojin C
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