Chem
J-GLOBAL ID：200907055035038298   Nikkaji number：J1.095.557B

(2S)-2-Methylbutyric acid (3R)-1,2,3,7,8,8aα-hexahydro-3β,7α-dimethyl-8α-[(3R,5R)-3,5,7-trihydroxy-7-oxoheptyl]naphthalene-1-yl ester

(2S)-2-メチル酪酸(3R)-1,2,3,7,8,8aα-ヘキサヒドロ-3β,7α-ジメチル-8α-[(3R,5R)-3,5,7-トリヒドロキシ-7-オキソヘプチル]ナフタレン-1-イル
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： C24H38O6
Molecular formula furigana： C24-H38-O6
Molecular weight： 422.562
InChI： InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21?,23-/m0/s1
InChI key： QLJODMDSTUBWDW-JUCDUULMSA-N
SMILES： CC[C@H](C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12
Systematic name  (3)：
  • (2S)-2-メチル酪酸(3R)-1,2,3,7,8,8aα-ヘキサヒドロ-3β,7α-ジメチル-8α-[(3R,5R)-3,5,7-トリヒドロキシ-7-オキソヘプチル]ナフタレン-1-イル
  • (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-ジメチル-8-{[(2S)-2-メチルブタノイル]オキシ}-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]-3,5-ジヒドロキシヘプタン酸
  • (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Other name (1)：
  • (2S)-2-Methylbutyric acid (3R)-1,2,3,7,8,8aα-hexahydro-3β,7α-dimethyl-8α-[(3R,5R)-3,5,7-trihydroxy-7-oxoheptyl]naphthalene-1-yl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM