Chem
J-GLOBAL ID:200907051071348648   Nikkaji number:J17.538B

Elemonic acid

エレモン酸
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: C30H46O3
Molecular formula furigana: C30-H46-O3
Molecular weight: 454.695
InChI: InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1
InChI key: XLPAINGDLCDYQV-SDTWUMECSA-N
SMILES: CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O)C
Systematic name  (6):
  • 3-オキソ-5α-チルカラ-8,24-ジエン-21-酸
  • (13α,14β,17α,20S)-3-オキソ-5α-ラノスタ-8,24-ジエン-21-酸
  • 3-オキソチルカラ-8,24-ジエン-21-酸
  • (20S)-3-オキソオイファ-8,24-ジエン-21-酸
  • (2S)-2-[(1S,3aS,5aR,9aS,11aS)-3a,6,6,9a,11a-ペンタメチル-7-オキソ-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-1-イル]-6-メチルヘプタ-5-エン酸
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Other name (8):
  • エレモン酸
  • Elemonic acid
  • (13α,14β,17α,20S)-3-Oxo-5α-lanosta-8,24-dien-21-oic acid
  • 3-Oxotirucalla-8,24-dien-21-oic acid
  • β-Elemonic acid
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CAS registry number: 28282-25-9
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