Chem
J-GLOBAL ID:200907051256237362   Nikkaji number:J2.329.729I

Longipedlactone B

ロンギペドラクトンB
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: C30H40O5
Molecular formula furigana: C30-H40-O5
Molecular weight: 480.645
InChI: InChI=1S/C30H40O5/c1-17-7-10-24(34-27(17)32)19(3)21-13-14-29(6)23(18(21)2)16-30(33)15-20-8-12-26(31)35-28(4,5)22(20)9-11-25(29)30/h7-8,12,15,19,21-25,33H,2,9-11,13-14,16H2,1,3-6H3/t19-,21-,22-,23-,24-,25+,29-,30-/m1/s1
InChI key: NHRSXCUUAIYPDX-XWKFPAHWSA-N
SMILES: C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@@H]1CC[C@]2(C)[C@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4CC[C@@H]23)C1=C
Systematic name  (3):
  • 1,1-ジメチル-7-ヒドロキシ-7β,8α-[メチレン[(1R,2R,4S)-1-メチル-3-メチレン-4-[(1R)-1-[(2R)-5-メチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]シクロヘキサン-2,1-ジイル]]-1,3,7,8,9,10,10aα-ヘプタヒドロ-2-オキサヘプタレン-3-オン
  • (1S,9R,12S,13R,16S,18R)-1-ヒドロキシ-8,8,13-トリメチル-16-[(1R)-1-[(2R)-5-メチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-17-メチリデン-7-オキサテトラシクロ[10.7.0.03,9.013,18]ノナデカ-2,4-ジエン-6-オン
  • (1S,9R,12S,13R,16S,18R)-1-hydroxy-8,8,13-trimethyl-16-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-17-methylidene-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4-dien-6-one
Other name (3):
  • 1,1-Dimethyl-7-hydroxy-7β,8α-[methylene[(1R,2R,4S)-1-methyl-3-methylene-4-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]cyclohexane-2,1-diyl]]-1,3,7,8,9,10,10aα-heptahydro-2-oxaheptalene-3-one
  • ロンギペドラクトンB
  • Longipedlactone B
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