Chem
J-GLOBAL ID：200907037961822700   Nikkaji number：J1.257.958F

3-Epicabraleadiol

3-エピカブラレアジオール
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)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
InChI key： RQBNSDSKUAGBOI-GGWQMWHBSA-N
SMILES： CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Systematic name  (4)：
  • (24R)-20,24-エポキシ-5α-ダンマラン-3β,25-ジオール
  • (20S,24R)-20,24-エポキシ-5α-ダンマラン-3β,25-ジオール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(2S,5R)-5-(2-ヒドロキシプロパン-2-イル)-2-メチルオキソラン-2-イル]-3a,3b,6,6,9a-ペンタメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
Other name (4)：
  • (24R)-20,24-Epoxy-5α-dammarane-3β,25-diol
  • 3-エピカブラレアジオール
  • 3-Epicabraleadiol
  • (20S,24R)-20,24-Epoxy-5α-dammarane-3β,25-diol
Thsaurus map：
Thesaurus Map

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