Chem
J-GLOBAL ID：200907037304221659   Nikkaji number：J2.773.887G

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

(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-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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-19(10-9-14-26(2,3)34-33)20-11-17-30(8)25-21(12-16-29(20,30)7)28(6)15-13-24(32)27(4,5)23(28)18-22(25)31/h9,14,19-20,23-24,32-33H,10-13,15-18H2,1-8H3/b14-9+/t19-,20-,23-,24-,28+,29-,30+/m0/s1
InChI key： GKUSRUNEHWJUSA-XQEGXIPOSA-N
SMILES： C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[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-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-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]phenanthren-4-one
Other name (1)：
  • (23E)-3β-Hydroxy-25-hydroperoxytirucallane-8,23-diene-7-one
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