Chem
J-GLOBAL ID：200907036898287100   Nikkaji number：J14.120H

Uvaol

ウバオール
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： C30H50O2
Molecular formula furigana： C30-H50-O2
Molecular weight： 442.728
InChI： InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChI key： XUARCIYIVXVTAE-ZAPOICBTSA-N
SMILES： C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
Systematic name  (5)：
  • 19β-メチル-30-ノルオレアナ-12-エン-3β,28-ジオール
  • ウルサ-12-エン-3β,28-ジオール
  • ウルサン-12-エン-3β,28-ジオール
  • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,6b,11,12,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-オール
  • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
Other name (4)：
  • ウバオール
  • Uvaol
  • Urs-12-ene-3β,28-diol
  • Ursane-12-ene-3β,28-diol
CAS registry number： 545-46-0
Regulation number (1)：
  • EINECS2088883
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