Chem
J-GLOBAL ID：200907078373443750   Nikkaji number：J1.392.039G

Khayanolide A

カヤノリド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： C27H32O10
Molecular formula furigana： C27-H32-O10
Molecular weight： 516.543
InChI： InChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3/t13-,16+,17+,18+,19-,20+,22-,23+,24-,25+,26+,27+/m1/s1
InChI key： SZIDPCXTWHHMAY-LUUUZSLOSA-N
SMILES： COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@H](C(=O)[C@H]2O)[C@]24O[C@@]52CC(=O)O[C@@H](c2ccoc2)[C@]5(C)CC[C@@H]4[C@]13C
Systematic name  (3)：
  • (αS,6aβ)-α,10α-ジヒドロキシ-2,11-ジオキソ-4β-(3-フラニル)-4aβ,7,9-トリメチル-9β,7β,12β-[(S)-2-ヒドロキシエタン-1,2,2-トリイル]-12aβ,12bβ-エポキシテトラデカヒドロ-4H-3-オキサシクロオクタ[a]ナフタレン-8β-酢酸メチル
  • メチル (2S)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16R,18S,19S)-6-(フラン-3-イル)-15,18-ジヒドロキシ-1,5,16-トリメチル-8,14-ジオキソ-7,11-ジオキサヘキサシクロ[14.2.1.02,12.05,10.010,12.013,18]ノナデカン-19-イル]-2-ヒドロキシアセタート
  • methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate
Other name (3)：
  • (αS,6aβ)-α,10α-Dihydroxy-2,11-dioxo-4β-(3-furanyl)-4aβ,7,9-trimethyl-9β,7β,12β-[(S)-2-hydroxyethane-1,2,2-triyl]-12aβ,12bβ-epoxytetradecahydro-4H-3-oxacycloocta[a]naphthalene-8β-acetic acid methyl ester
  • カヤノリドA
  • Khayanolide A
CAS registry number： 300833-56-1
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