Chem
J-GLOBAL ID:201707015906798727
Nikkaji number:J3.554.062H
Verruculide B
ベルクリドB
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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 H36 O6
Molecular formula furigana:
C25-H36-O6
Molecular weight:
432.557
InChI:
InChI=1S/C25H36O6/c1-15(7-6-8-16(2)10-12-22(28)25(4,5)30)9-11-18-19-13-17(3)31-24(29)23(19)21(27)14-20(18)26/h8-9,14,17,22,26-28,30H,6-7,10-13H2,1-5H3/t17-,22?/m1/s1
InChI key:
CBQSQQCAFNEQFL-PLEWWHCXSA-N
SMILES:
C[C@@H]1Cc2c(CC=C(C)CCC=C(C)CCC(O)C(C)(C)O)c(O)cc(O)c2C(=O)O1
Systematic name (3):
6,8-ジヒドロキシ-5-(10,11-ジヒドロキシ-3,7,11-トリメチル-2,6-ドデカジエン-1-イル)-3α-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
(3R)-5-(10,11-ジヒドロキシ-3,7,11-トリメチルドデカ-2,6-ジエン-1-イル)-6,8-ジヒドロキシ-3-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
(3R)-5-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
Other name (3):
6,8-Dihydroxy-5-(10,11-dihydroxy-3,7,11-trimethyl-2,6-dodecadiene-1-yl)-3α-methyl-3,4-dihydro-1H-2-benzopyran-1-one
ベルクリドB
Verruculide B
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