Chem
J-GLOBAL ID：200907089213477359   Nikkaji number：J126.623C

Sorbicortol II

ソルビコルトールII
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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1
InChI key： PHMKDBZGQWXPAZ-MZFJGDBOSA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (4)：
  • ルパ-20(29)-エン-3β,23,28-トリオール
  • 3β,23,28-トリヒドロキシルパ-20(29)-エン
  • (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-ビス(ヒドロキシメチル)-5a,5b,8,11a-テトラメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オール
  • (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
Other name (6)：
  • Sorbicortol II
  • ソルビコルトールII
  • Lup-20(29)-ene-3β,23,28-triol
  • 23-ヒドロキシベツリン
  • 23-Hydroxybetulin
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CAS registry number： 84414-40-4
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