Chem
J-GLOBAL ID：200907049627229991   Nikkaji number：J15.286B

Myricadiol

ミリカジオール
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： C30H50O2
Molecular formula furigana： C30-H50-O2
Molecular weight： 442.728
InChI： InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20-,21+,23-,24-,27-,28+,29+,30-/m0/s1
InChI key： RJAKLUPHSBOQNU-GCHNNGBASA-N
SMILES： CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
Systematic name  (3)：
  • D-フリードオレアナ-14-エン-3β,28-ジオール
  • (3S,4aR,6aR,8aS,12aS,12bS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,11,11,12b,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-イコサヒドロピセン-3-オール
  • (3S,4aR,6aR,8aS,12aS,12bS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
Other name (3)：
  • ミリカジオール
  • Myricadiol
  • D-Friedoolean-14-ene-3β,28-diol
CAS registry number： 17884-88-7
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