Chem
J-GLOBAL ID:200907078581679792   Nikkaji number:J1.657.646H

(1R)-4β-Formyl-4,4aβ,5,6,7,7aα,8,8a-octahydro-8aβ-(hydroxymethyl)-3-isopropyl-7β-methyl-1α,4-methano-s-indacene-3aβ(1H)-carboxylic acid β-D-glucopyranosyl ester

(1R)-4β-ホルミル-4,4aβ,5,6,7,7aα,8,8a-オクタヒドロ-8aβ-(ヒドロキシメチル)-3-イソプロピル-7β-メチル-1α,4-メタノ-s-インダセン-3aβ(1H)-カルボン酸β-D-グルコピラノシル
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: C26H38O9
Molecular formula furigana: C26-H38-O9
Molecular weight: 494.581
InChI: InChI=1S/C26H38O9/c1-12(2)17-6-14-7-25(11-29)16-5-4-13(3)15(16)8-24(14,10-28)26(17,25)23(33)35-22-21(32)20(31)19(30)18(9-27)34-22/h6,11-16,18-22,27-28,30-32H,4-5,7-10H2,1-3H3/t13-,14+,15-,16-,18-,19-,20+,21-,22+,24+,25+,26-/m1/s1
InChI key: OXLNEWBDPBEFFS-WIXQCFIDSA-N
SMILES: CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (1R)-4β-ホルミル-4,4aβ,5,6,7,7aα,8,8a-オクタヒドロ-8aβ-(ヒドロキシメチル)-3-イソプロピル-7β-メチル-1α,4-メタノ-s-インダセン-3aβ(1H)-カルボン酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (1R,2S,4R,5R,8R,9S,11R)-9-ホルミル-2-(ヒドロキシメチル)-5-メチル-13-(プロパン-2-イル)テトラシクロ[7.4.0.02,11.04,8]トリデカ-12-エン-1-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2S,4R,5R,8R,9S,11R)-9-formyl-2-(hydroxymethyl)-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
Other name (1):
  • (1R)-4β-Formyl-4,4aβ,5,6,7,7aα,8,8a-octahydro-8aβ-(hydroxymethyl)-3-isopropyl-7β-methyl-1α,4-methano-s-indacene-3aβ(1H)-carboxylic acid β-D-glucopyranosyl ester
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