Chem
J-GLOBAL ID：200907011140675930
Nikkaji number：J1.361.213G
(4′R,7S)-4-[[(E,R)-3,7-Dimethyl-6,7-dihydroxy-2-octenyl]oxy]-4′-[(E)-3-methyl-5-[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]-3-pentenyl]-5′,5′-dimethylspiro[7H-furo[3,2-g][1]benzopyran-7,2′-[1,3]dioxolane]
4-{[(2E)-5-[(2S,5R)-4'-{[(2E,6R)-6,7-ジヒドロキシ-3,7-ジメチルオクタ-2-エン-1-イル]オキシ}-4,4-ジメチルスピロ[1,3-ジオキソラン-2,7'-フロ[3,2-g]クロメン]-5-イル]-3-メチルペンタ-2-エン-1-イル]オキシ}-7H-フロ[3,2-g]クロメン-7-オン
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： C42H46O11
Molecular formula furigana： C42-H46-O11
Molecular weight： 726.819
InChI：
InChI=1S/C42H46O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-18,21-24,35-36,43,45H,7-8,10-11,19-20H2,1-6H3/b25-14+,26-15+/t35-,36-,42-/m1/s1
InChI key：
XJFYVHQSQCXVIW-KKFFPADWSA-N
SMILES：
C/C(=C\COc1c2C=C[C@]3(O[C@H](CC/C(=C/COc4c5ccoc5cc5oc(=O)ccc45)/C)C(C)(C)O3)Oc2cc2occc12)/CC[C@@H](O)C(C)(C)O
Systematic name (3)：
- (4′R,7S)-4-[[(E,R)-3,7-ジメチル-6,7-ジヒドロキシ-2-オクテニル]オキシ]-4′-[(E)-3-メチル-5-[(7-オキソ-7H-フロ[3,2-g][1]ベンゾピラン-4-イル)オキシ]-3-ペンテニル]-5′,5′-ジメチルスピロ[7H-フロ[3,2-g][1]ベンゾピラン-7,2′-[1,3]ジオキソラン]
- 4-{[(2E)-5-[(2S,5R)-4'-{[(2E,6R)-6,7-ジヒドロキシ-3,7-ジメチルオクタ-2-エン-1-イル]オキシ}-4,4-ジメチルスピロ[1,3-ジオキソラン-2,7'-フロ[3,2-g]クロメン]-5-イル]-3-メチルペンタ-2-エン-1-イル]オキシ}-7H-フロ[3,2-g]クロメン-7-オン
- 4-{[(2E)-5-[(2S,5R)-4'-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-5-yl]-3-methylpent-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
- (4′R,7S)-4-[[(E,R)-3,7-Dimethyl-6,7-dihydroxy-2-octenyl]oxy]-4′-[(E)-3-methyl-5-[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]-3-pentenyl]-5′,5′-dimethylspiro[7H-furo[3,2-g][1]benzopyran-7,2′-[1,3]dioxolane]
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