Chem
J-GLOBAL ID：200907086956111430   Nikkaji number：J2.363.745F

Carneic acid B

カルネ酸B
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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChI key： YGIXVFNOSSPFLR-RYAGCBDWSA-N
SMILES： C[C@@H]1CC[C@@H](O)[C@@H]2C=C(C)[C@@H]([C@H](/C=C/C=C/C(=O)O)[C@@H]12)/C(=C/CO)/C
Systematic name  (3)：
  • (2E,4E)-5-[(1R)-5α-ヒドロキシ-3,8β-ジメチル-2β-[(E)-3-ヒドロキシ-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,2R,4aS,5R,8R,8aR)-5-ヒドロキシ-2-[(2E)-4-ヒドロキシブタ-2-エン-2-イル]-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,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(2E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Other name (3)：
  • (2E,4E)-5-[(1R)-5α-Hydroxy-3,8β-dimethyl-2β-[(E)-3-hydroxy-1-methyl-1-propenyl]-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-yl]-2,4-pentadienoic acid
  • カルネ酸B
  • Carneic acid B
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