Chem
J-GLOBAL ID:200907066524120659
Nikkaji number:J894.116E
(1S)-3′,4-Dioxo-4′-[[(1S)-2-(methoxycarbonyl)-4α,5α,6β-trihydroxy-2-cyclohexen-1β-yl]oxy]-5′,7′-dichloro-6-methoxy-6′-methylspiro[2,5-cyclohexadiene-1,2′(3′H)-benzofuran]-2-carboxylic acid methyl ester
(1S)-3′,4-ジオキソ-4′-[[(1S)-2-(メトキシカルボニル)-4α,5α,6β-トリヒドロキシ-2-シクロヘキセン-1β-イル]オキシ]-5′,7′-ジクロロ-6-メトキシ-6′-メチルスピロ[2,5-シクロヘキサジエン-1,2′(3′H)-ベンゾフラン]-2-カルボン酸メチル
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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:
C25 H22 Cl2 O12
Molecular formula furigana:
C25-H22-CL2-O12
Molecular weight:
585.340
InChI:
InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25-/m0/s1
InChI key:
LNGFWDFUPRZMJI-BCJKWFSWSA-N
SMILES:
COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1Oc1c2C(=O)[C@@]3(Oc2c(Cl)c(C)c1Cl)C(=CC(=O)C=C3C(=O)OC)OC
Systematic name (3):
(1S)-3′,4-ジオキソ-4′-[[(1S)-2-(メトキシカルボニル)-4α,5α,6β-トリヒドロキシ-2-シクロヘキセン-1β-イル]オキシ]-5′,7′-ジクロロ-6-メトキシ-6′-メチルスピロ[2,5-シクロヘキサジエン-1,2′(3′H)-ベンゾフラン]-2-カルボン酸メチル
メチル (2S)-5,7-ジクロロ-6'-メトキシ-6-メチル-3,4'-ジオキソ-4-{[(1S,4S,5S,6R)-4,5,6-トリヒドロキシ-2-(メトキシカルボニル)シクロヘキサ-2-エン-1-イル]オキシ}-3H-スピロ[1-ベンゾフラン-2,1'-シクロヘキサン]-2',5'-ジエン-2'-カルボキシラート
methyl (2S)-5,7-dichloro-6'-methoxy-6-methyl-3,4'-dioxo-4-{[(1S,4S,5S,6R)-4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}-3H-spiro[1-benzofuran-2,1'-cyclohexane]-2',5'-diene-2'-carboxylate
Other name (1):
(1S)-3′,4-Dioxo-4′-[[(1S)-2-(methoxycarbonyl)-4α,5α,6β-trihydroxy-2-cyclohexen-1β-yl]oxy]-5′,7′-dichloro-6-methoxy-6′-methylspiro[2,5-cyclohexadiene-1,2′(3′H)-benzofuran]-2-carboxylic acid methyl ester
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