Chem
J-GLOBAL ID：200907063557908317   Nikkaji number：J2.773.892C

(23E)-3β-Hydroxy-25-hydroperoxytirucallane-8,23-diene-7,11-dione

(23E)-3β-ヒドロキシ-25-ヒドロペルオキシチルカラン-8,23-ジエン-7,11-ジオン
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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-18(10-9-13-26(2,3)35-34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19-,22-,23-,28-,29+,30-/m0/s1
InChI key： AAWUBULPPJPQDA-HRHJAXJRSA-N
SMILES： C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Systematic name  (3)：
  • (23E)-3β-ヒドロキシ-25-ヒドロペルオキシチルカラン-8,23-ジエン-7,11-ジオン
  • (1S,3aS,5aR,7S,9aS,11aS)-1-[(2S,4E)-6-ヒドロペルオキシ-6-メチルヘプタ-4-エン-2-イル]-7-ヒドロキシ-3a,6,6,9a,11a-ペンタメチル-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4,10-ジオン
  • (1S,3aS,5aR,7S,9aS,11aS)-1-[(2S,4E)-6-hydroperoxy-6-methylhept-4-en-2-yl]-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,10-dione
Other name (1)：
  • (23E)-3β-Hydroxy-25-hydroperoxytirucallane-8,23-diene-7,11-dione
Thsaurus map：
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