Chem
J-GLOBAL ID：200907025394452788   Nikkaji number：J28.613C

Tohogenol

トホゲノール
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： C30H52O3
Molecular formula furigana： C30-H52-O3
Molecular weight： 460.743
InChI： InChI=1S/C30H52O3/c1-25(2)19-10-14-27(5)18-30(33)17-11-20-26(3,4)24(32)13-16-29(20,7)22(30)9-8-21(27)28(19,6)15-12-23(25)31/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24-,27-,28-,29-,30-/m0/s1
InChI key： BLPHPSBSZGKMLY-WCHXXFKISA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
Systematic name  (3)：
  • C(14a)-ホモ-27-ノルガンマセラン-3β,14β,21α-トリオール
  • (1S,3S,6R,8S,11R,12S,15R,16S,19S,21R)-3,7,7,11,16,20,20-ヘプタメチルペンタシクロ[13.8.0.03,12.06,11.016,21]トリコサン-1,8,19-トリオール
  • (1S,3S,6R,8S,11R,12S,15R,16S,19S,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
Other name (3)：
  • トホゲノール
  • Tohogenol
  • C(14a)-Homo-27-norgammacerane-3β,14β,21α-triol
CAS registry number： 28618-19-1
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