Chem
J-GLOBAL ID：200907021697474967   Nikkaji number：J963.710I

Cladocoran A

クラドコランA
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： C27H40O5
Molecular formula furigana： C27-H40-O5
Molecular weight： 444.612
InChI： InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21+,23-,25?,26+,27+/m1/s1
InChI key： LUZPPGGVQBQOEH-GNAIDZQBSA-N
SMILES： C[C@@H]1CC[C@H]2C(=CCC[C@]2(C)CCCC(=C)C)[C@@]1(C)C[C@@H](OC(=O)C)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-アセトキシエチル]-5-ヒドロキシフラン-2(5H)-オン
  • (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-(2-ヒドロキシ-5-オキソ-2,5-ジヒドロフラン-3-イル)エチル アセタート
  • (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-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl acetate
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-acetoxyethyl]-5-hydroxyfuran-2(5H)-one
  • クラドコランA
  • Cladocoran A
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