Chem
J-GLOBAL ID：200907086045587942   Nikkaji number：J1.454.862I

Khayanolide C

カヤノリドC
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/c1-23-7-5-13-25(3)18(17(30)22(32)35-4)24(2)11-26(25,33)19(16(29)20(24)31)27(13,34)14(23)9-15(28)37-21(23)12-6-8-36-10-12/h6,8-10,13,17-21,30-31,33-34H,5,7,11H2,1-4H3/t13-,17+,18+,19+,20-,21+,23-,24-,25-,26+,27-/m1/s1
InChI key： BXSPWNHDIUKNAJ-YCBPTQNRSA-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@@]2(O)[C@H](CC[C@@]4(C)[C@@H](OC(=O)C=C24)c2ccoc2)[C@]13C
Systematic name  (3)：
  • (αS,6aβ)-α,10α,12aβ-トリヒドロキシ-2,11-ジオキソ-4β-(3-フリル)-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]-4,4a,5,6,6a,7,8,9,10,11,12,12a-ドデカヒドロ-2H-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,5R,6R,11S,12S,14S,15R,17S,18S)-6-(フラン-3-イル)-11,14,17-トリヒドロキシ-1,5,15-トリメチル-8,13-ジオキソ-7-オキサペンタシクロ[13.2.1.02,11.05,10.012,17]オクタデカ-9-エン-18-イル]-2-ヒドロキシアセタート
  • methyl (2S)-2-[(1S,2R,5R,6R,11S,12S,14S,15R,17S,18S)-6-(furan-3-yl)-11,14,17-trihydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-9-en-18-yl]-2-hydroxyacetate
Other name (3)：
  • (αS,6aβ)-α,10α,12aβ-Trihydroxy-2,11-dioxo-4β-(3-furyl)-4aβ,7,9-trimethyl-9β,7β,12β-[(S)-2-hydroxyethane-1,2,2-triyl]-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-2H-3-oxacycloocta[a]naphthalene-8β-acetic acid methyl ester
  • カヤノリドC
  • Khayanolide C
CAS registry number： 330846-36-1
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