Chem
J-GLOBAL ID:200907050655104450   Nikkaji number:J883.436I

Petrosaspongiolide K

ペトロサスポンギオリドK
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: C24H36O3
Molecular formula furigana: C24-H36-O3
Molecular weight: 372.549
InChI: InChI=1S/C24H36O3/c1-22(2)9-5-10-24(4)19(22)8-11-23(3)17-14-18(25)16(13-21(26)27)12-15(17)6-7-20(23)24/h12,15,17,19-20H,5-11,13-14H2,1-4H3,(H,26,27)/t15?,17?,19?,20?,23-,24-/m0/s1
InChI key: PRNTZJVEEUQNTM-IDMTUCPLSA-N
SMILES: CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)C3CC(=O)C(=CC3CCC21)CC(=O)O
Systematic name  (3):
  • 3-オキソ-4bβ,7,7,10aβ-テトラメチル-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-ヘキサデカヒドロクリセン-2-酢酸
  • 2-[(4bS,10aS)-4b,7,7,10a-テトラメチル-3-オキソ-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-ヘキサデカヒドロクリセン-2-イル]酢酸
  • 2-[(4bS,10aS)-4b,7,7,10a-tetramethyl-3-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl]acetic acid
Other name (3):
  • ペトロサスポンギオリドK
  • Petrosaspongiolide K
  • 3-Oxo-4bβ,7,7,10aβ-tetramethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-acetic acid
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