Chem
J-GLOBAL ID:200907045940704034
Nikkaji number:J1.225.856I
Conocurvone
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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:
C60 H56 O11
Molecular formula furigana:
C60-H56-O11
Molecular weight:
953.097
InChI:
InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1
InChI key:
IJDNMADFCZSLQD-UPMPAGDASA-N
SMILES:
CC(=CCC[C@@]1(C)Oc2ccc3C(=O)C(=C(O)C(=O)c3c2C=C1)C1=C(C(=O)c2c(ccc3O[C@](C)(CCC=C(C)C)C=Cc23)C1=O)C1=C(O)C(=O)c2c(ccc3O[C@](C)(CCC=C(C)C)C=Cc23)C1=O)C
Systematic name (3):
(3R,3′R,3′′R)-9,9′′-ジヒドロキシ-3,3′,3′′-トリメチル-3,3′,3′′-トリス(4-メチル-3-ペンテニル)-8,8′:9′,8′′-テル(3H-ナフト[2,1-b]ピラン)-7,7′,7′′,10,10′,10′′-ヘキサオン
(3R)-8,9-ビス[(3R)-9-ヒドロキシ-3-メチル-3-(4-メチルペンタ-3-エン-1-イル)-7,10-ジオキソ-3H,7H,10H-シクロヘキサ[f]クロメン-8-イル]-3-メチル-3-(4-メチルペンタ-3-エン-1-イル)-3H,7H,10H-シクロヘキサ[f]クロメン-7,10-ジオン
(3R)-8,9-bis[(3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-en-1-yl)-7,10-dioxo-3H,7H,10H-cyclohexa[f]chromen-8-yl]-3-methyl-3-(4-methylpent-3-en-1-yl)-3H,7H,10H-cyclohexa[f]chromene-7,10-dione
Other name (3):
(3R,3′R,3′′R)-9,9′′-Dihydroxy-3,3′,3′′-trimethyl-3,3′,3′′-tris(4-methyl-3-pentenyl)-8,8′:9′,8′′-ter(3H-naphtho[2,1-b]pyran)-7,7′,7′′,10,10′,10′′-hexone
Conocurvone
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