Chem
J-GLOBAL ID:200907050232984454   Nikkaji number:J1.883.437E

Jaspic acid

ジャスプ酸
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: C26H36O3
Molecular formula furigana: C26-H36-O3
Molecular weight: 396.571
InChI: InChI=1S/C26H36O3/c1-17(2)11-14-25(4)12-6-13-26(5)21(18(3)7-10-23(25)26)16-20-15-19(24(28)29)8-9-22(20)27/h7-9,11,15,21,23,27H,6,10,12-14,16H2,1-5H3,(H,28,29)/t21-,23-,25+,26+/m0/s1
InChI key: HYBKOOPVAKRKCE-AAOIWRJWSA-N
SMILES: CC(=CC[C@@]1(C)CCC[C@]2(C)[C@@H](Cc3cc(ccc3O)C(=O)O)C(=CC[C@@H]12)C)C
Systematic name  (4):
  • 4-ヒドロキシ-3-[[(1S)-1,4,4aα,5,6,7,8,8a-オクタヒドロ-5β-(4-メチル-3-ペンテニル)-2,5α,8aβ-トリメチルナフタレン-1-イル]メチル]安息香酸
  • 3-[[(1S)-2,5α,8aβ-トリメチル-5β-(3-メチル-2-ブテニル)-1,4,4aα,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]メチル]-4-ヒドロキシ安息香酸
  • 3-{[(1S,4aS,5R,8aS)-2,5,8a-トリメチル-5-(3-メチルブタ-2-エン-1-イル)-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]メチル}-4-ヒドロキシ安息香酸
  • 3-{[(1S,4aS,5R,8aS)-2,5,8a-trimethyl-5-(3-methylbut-2-en-1-yl)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl}-4-hydroxybenzoic acid
Other name (5):
  • 4-Hydroxy-3-[[(1S)-1,4,4aα,5,6,7,8,8a-octahydro-5β-(4-methyl-3-pentenyl)-2,5α,8aβ-trimethylnaphthalene-1-yl]methyl]benzoic acid
  • ジャスプ酸
  • Jaspic acid
  • 3-[[(1S)-2,5α,8aβ-Trimethyl-5β-(3-methyl-2-butenyl)-1,4,4aα,5,6,7,8,8a-octahydronaphthalene-1-yl]methyl]-4-hydroxybenzoic acid
  • ジャスピン酸
CAS registry number: 193074-49-6
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