Chem
J-GLOBAL ID:200907002081367690
Nikkaji number:J868.116C
Angelic acid [(3S)-2,7-dioxo-3,5aβ,9-trimethyl-6α-hydroxy-2,3,3aβ,4,5,5a,6,7,9aα,9bβ-decahydronaphtho[1,2-b]furan]-3β-yl ester
アンゲリカ酸[(3S)-2,7-ジオキソ-3,5aβ,9-トリメチル-6α-ヒドロキシ-2,3,3aβ,4,5,5a,6,7,9aα,9bβ-デカヒドロナフト[1,2-b]フラン]-3β-イル
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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:
C20 H26 O6
Molecular formula furigana:
C20-H26-O6
Molecular weight:
362.422
InChI:
InChI=1S/C20H26O6/c1-6-10(2)17(23)26-20(5)12-7-8-19(4)14(15(12)25-18(20)24)11(3)9-13(21)16(19)22/h6,9,12,14-16,22H,7-8H2,1-5H3/b10-6-/t12-,14+,15-,16-,19+,20+/m1/s1
InChI key:
ANEOWDWLJGVECN-DMKCIIKBSA-N
SMILES:
C/C=C(/C)\C(=O)O[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](O)C(=O)C=C(C)[C@H]3[C@@H]2OC1=O
Systematic name (3):
アンゲリカ酸[(3S)-2,7-ジオキソ-3,5aβ,9-トリメチル-6α-ヒドロキシ-2,3,3aβ,4,5,5a,6,7,9aα,9bβ-デカヒドロナフト[1,2-b]フラン]-3β-イル
(3S,3aR,5aS,6S,9aR,9bS)-6-ヒドロキシ-3,5a,9-トリメチル-2,7-ジオキソ-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-ナフト[1,2-b]フラン-3-イル (2Z)-2-メチルブタ-2-エノアート
(3S,3aR,5aS,6S,9aR,9bS)-6-hydroxy-3,5a,9-trimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate
Other name (1):
Angelic acid [(3S)-2,7-dioxo-3,5aβ,9-trimethyl-6α-hydroxy-2,3,3aβ,4,5,5a,6,7,9aα,9bβ-decahydronaphtho[1,2-b]furan]-3β-yl ester
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