Chem
J-GLOBAL ID：200907099309980170   Nikkaji number：J2.363.744H

Carneic acid A

カルネ酸A
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： C21H30O3
Molecular formula furigana： C21-H30-O3
Molecular weight： 330.468
InChI： InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1
InChI key： KNDPLJZJPQWOMQ-XLSWVBTGSA-N
SMILES： C/C=C(\C)/[C@@H]1[C@H](/C=C/C=C/C(=O)O)[C@H]2[C@H](C)CC[C@@H](O)[C@@H]2C=C1C
Systematic name  (4)：
  • (2E,4E)-5-[(1R)-5α-ヒドロキシ-3,8β-ジメチル-2β-[(E)-1-メチル-1-プロペニル]-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1-イル]-2,4-ペンタジエン酸
  • (2E,4E)-5-[(1R)-2β-[(E)-1-メチル-1-プロペニル]-3,8β-ジメチル-5α-ヒドロキシ-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1β-イル]-2,4-ペンタジエン酸
  • (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(2E)-ブタ-2-エン-2-イル]-5-ヒドロキシ-3,8-ジメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]ペンタ-2,4-ジエン酸
  • (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(2E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Other name (6)：
  • (2E,4E)-5-[(1R)-5α-Hydroxy-3,8β-dimethyl-2β-[(E)-1-methyl-1-propenyl]-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-yl]-2,4-pentadienoic acid
  • カルネ酸A
  • Carneic acid A
  • (2E,4E)-5-[(1R)-2β-[(E)-1-Methyl-1-propenyl]-3,8β-dimethyl-5α-hydroxy-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1β-yl]-2,4-pentadienoic acid
  • (+)-カルネ酸A
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