Chem
J-GLOBAL ID：200907025884404315   Nikkaji number：J1.392.040K

Khayanolide B

カヤノリド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： C27H34O10
Molecular formula furigana： C27-H34-O10
Molecular weight： 518.558
InChI： InChI=1S/C27H34O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-20,29-30,32-33H,5,7,9,11H2,1-4H3
InChI key： ZDYKUDUSNJTTKV-UHFFFAOYSA-N
SMILES： COC(=O)C(O)C1C2(C)CC3(O)C4C(OC56CC(=O)OC(c7ccoc7)C5(C)CCC(C13C)C46O)C2O
Systematic name  (3)：
  • (αS,6aβ)-α,10α,12aβ-トリヒドロキシ-2-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]-11α,12bα-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 2-[8-(フラン-3-イル)-1,3,15-トリヒドロキシ-7,16,18-トリメチル-10-オキソ-9,13-ジオキサヘキサシクロ[14.2.1.02,14.03,12.04,18.07,12]ノナデカン-17-イル]-2-ヒドロキシアセタート
  • methyl 2-[8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
Other name (3)：
  • (αS,6aβ)-α,10α,12aβ-Trihydroxy-2-oxo-4β-(3-furanyl)-4aβ,7,9-trimethyl-9β,7β,12β-[(S)-2-hydroxyethane-1,2,2-triyl]-11α,12bα-epoxytetradecahydro-4H-3-oxacycloocta[a]naphthalene-8β-acetic acid methyl ester
  • カヤノリドB
  • Khayanolide B
CAS registry number： 300833-57-2
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