Chem
J-GLOBAL ID:200907050759560334   Nikkaji number:J2.521.107C

(11aS)-5β-Methyl-5-[2-methyl-3-(methoxymethyl)-5-oxo-1-cyclopentenyl]-8-[(benzyloxy)methyl]-5,7aα,8,9,10,11-hexahydro-4aαH-naphtho[8a,1-c]pyran-8β-carboxylic acid tert-butyl ester

(11aS)-5β-メチル-5-[2-メチル-3-(メトキシメチル)-5-オキソ-1-シクロペンテニル]-8-[(ベンジルオキシ)メチル]-5,7aα,8,9,10,11-ヘキサヒドロ-4aαH-ナフト[8a,1-c]ピラン-8β-カルボン酸tert-ブチル
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: C35H46O6
Molecular formula furigana: C35-H46-O6
Molecular weight: 562.747
InChI: InChI=1S/C35H46O6/c1-24-26(21-38-6)19-27(36)30(24)33(5)17-13-29-34(22-39-18-14-28(33)34)15-10-16-35(29,31(37)41-32(2,3)4)23-40-20-25-11-8-7-9-12-25/h7-9,11-14,17-18,26,28-29H,10,15-16,19-23H2,1-6H3/t26?,28-,29+,33+,34-,35+/m0/s1
InChI key: UHXVFPARQDEZSV-LPJCOMJQSA-N
SMILES: COCC1CC(=O)C(=C1C)[C@]1(C)C=C[C@H]2[C@](COCc3ccccc3)(CCC[C@]32COC=C[C@@H]13)C(=O)OC(C)(C)C
Systematic name  (3):
  • (11aS)-5β-メチル-5-[2-メチル-3-(メトキシメチル)-5-オキソ-1-シクロペンテニル]-8-[(ベンジルオキシ)メチル]-5,7aα,8,9,10,11-ヘキサヒドロ-4aαH-ナフト[8a,1-c]ピラン-8β-カルボン酸tert-ブチル
  • tert-ブチル (4aS,5R,7aR,8S,11aS)-8-[(ベンジルオキシ)メチル]-5-[3-(メトキシメチル)-2-メチル-5-オキソシクロペンタ-1-エン-1-イル]-5-メチル-1H,4aH,5H,7aH,8H,9H,10H,11H-シクロヘキサ[j]イソクロメン-8-カルボキシラート
  • tert-butyl (4aS,5R,7aR,8S,11aS)-8-[(benzyloxy)methyl]-5-[3-(methoxymethyl)-2-methyl-5-oxocyclopent-1-en-1-yl]-5-methyl-1H,4aH,5H,7aH,8H,9H,10H,11H-cyclohexa[j]isochromene-8-carboxylate
Other name (1):
  • (11aS)-5β-Methyl-5-[2-methyl-3-(methoxymethyl)-5-oxo-1-cyclopentenyl]-8-[(benzyloxy)methyl]-5,7aα,8,9,10,11-hexahydro-4aαH-naphtho[8a,1-c]pyran-8β-carboxylic acid tert-butyl ester
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