Chem
J-GLOBAL ID：200907037854242882   Nikkaji number：J40.433K

Isotirucallol

イソチルカロール
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： C30H50O
Molecular formula furigana： C30-H50-O
Molecular weight： 426.729
InChI： InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,21,24-26,31H,9,11-19H2,1-8H3/t21-,24-,25+,26-,28-,29+,30+/m0/s1
InChI key： ISSSGGUZUSDMCE-REQHHNRLSA-N
SMILES： C[C@@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1
Systematic name  (3)：
  • (20S)-5α-ダンマラ-13(17),24-ジエン-3β-オール
  • (3aS,3bR,5aR,7S,9aR,9bR)-3a,3b,6,6,9a-ペンタメチル-1-[(2S)-6-メチルヘプタ-5-エン-2-イル]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-オール
  • (3aS,3bR,5aR,7S,9aR,9bR)-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methylhept-5-en-2-yl]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol
Other name (3)：
  • イソチルカロール
  • Isotirucallol
  • (20S)-5α-Dammara-13(17),24-dien-3β-ol
Thsaurus map：
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