Chem
J-GLOBAL ID：201007059995096876
Nikkaji number：J2.887.751J
[(3aS)-3aβ,7β,7aβ-Trihydroxy-1,3,3a,7a-tetrahydrospiro[isobenzofuran-4(7H),2′-[1,3]dioxolane]-3-ylidene]acetic acid methyl ester
[(3aS)-3aβ,7β,7aβ-トリヒドロキシ-1,3,3a,7a-テトラヒドロスピロ[イソベンゾフラン-4(7H),2′-[1,3]ジオキソラン]-3-イリデン]酢酸メチル
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
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
Molecular formula： C13H16O8
Molecular formula furigana： C13-H16-O8
Molecular weight： 300.263
InChI：
InChI=1S/C13H16O8/c1-18-10(15)6-9-13(17)11(16,7-19-9)8(14)2-3-12(13)20-4-5-21-12/h2-3,6,8,14,16-17H,4-5,7H2,1H3/t8-,11-,13-/m1/s1
InChI key：
NHHXRQAKDGYNPG-XTWCZFFVSA-N
SMILES：
COC(=O)C=C1OC[C@@]2(O)[C@H](O)C=CC3(OCCO3)[C@@]12O
Systematic name (3)：
- [(3aS)-3aβ,7β,7aβ-トリヒドロキシ-1,3,3a,7a-テトラヒドロスピロ[イソベンゾフラン-4(7H),2′-[1,3]ジオキソラン]-3-イリデン]酢酸メチル
- メチル 2-[(3aS,7R,7aR)-3a,7,7a-トリヒドロキシ-3,3a,7,7a-テトラヒドロ-1H-スピロ[2-ベンゾフラン-4,2'-[1,3]ジオキソラン]-3-イリデン]アセタート
- methyl 2-[(3aS,7R,7aR)-3a,7,7a-trihydroxy-3,3a,7,7a-tetrahydro-1H-spiro[2-benzofuran-4,2'-[1,3]dioxolan]-3-ylidene]acetate
- [(3aS)-3aβ,7β,7aβ-Trihydroxy-1,3,3a,7a-tetrahydrospiro[isobenzofuran-4(7H),2′-[1,3]dioxolane]-3-ylidene]acetic acid methyl ester
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