Chem
J-GLOBAL ID：200907081171898498   Nikkaji number：J963.731A

Cladocoran B

クラドコラン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： C25H38O4
Molecular formula furigana： C25-H38-O4
Molecular weight： 402.575
InChI： InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChI key： BSCXBLSTGMUDKH-GLHFMLLVSA-N
SMILES： C[C@@H]1CC[C@H]2C(=CCC[C@]2(C)CCCC(=C)C)[C@@]1(C)C[C@@H](O)C1=CC(=O)OC1O
Systematic name  (3)：
  • 4-[(R)-2-[(1S)-[1α,2α,5α-トリメチル-5-(4-メチル-4-ペンテニル)-1,2,3,4,4aβ,5,6,7-オクタヒドロナフタレン]-1-イル]-1-ヒドロキシエチル]-5-ヒドロキシフラン-2(5H)-オン
  • 4-[(1R)-2-[(1S,2R,4aR,5S)-1,2,5-トリメチル-5-(4-メチルペンタ-4-エン-1-イル)-1,2,3,4,4a,5,6,7-オクタヒドロナフタレン-1-イル]-1-ヒドロキシエチル]-5-ヒドロキシ-2,5-ジヒドロフラン-2-オン
  • 4-[(1R)-2-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-en-1-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-2,5-dihydrofuran-2-one
Other name (3)：
  • 4-[(R)-2-[(1S)-[1α,2α,5α-Trimethyl-5-(4-methyl-4-pentenyl)-1,2,3,4,4aβ,5,6,7-octahydronaphthalene]-1-yl]-1-hydroxyethyl]-5-hydroxyfuran-2(5H)-one
  • クラドコランB
  • Cladocoran B
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