Chem
J-GLOBAL ID：200907004414957248   Nikkaji number：J1.620.198G

1-O-Acetyl khayanolide A

1-O-アセチルカヤノリド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： C29H34O11
Molecular formula furigana： C29-H34-O11
Molecular weight： 558.580
InChI： InChI=1S/C29H34O11/c1-13(30)39-27-12-24(2)19(18(33)23(35)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,40-28)20(27)17(32)21(24)34/h7,9,11,15,18-22,33-34H,6,8,10,12H2,1-5H3/t15-,18+,19+,20+,21-,22+,24-,25+,26-,27+,28+,29+/m1/s1
InChI key： OQWXSIPGIIEHTO-QWRJSZCKSA-N
SMILES： COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(OC(=O)C)[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-フリル)-4aβ,7,9-トリメチル-9β,7β,12β-[(S)-2-アセトキシエタン-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)-18-(アセチルオキシ)-6-(フラン-3-イル)-15-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)-18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-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-furyl)-4aβ,7,9-trimethyl-9β,7β,12β-[(S)-2-acetoxyethane-1,2,2-triyl]-12aβ,12bβ-epoxytetradecahydro-4H-3-oxacycloocta[a]naphthalene-8β-acetic acid methyl ester
  • 1-O-アセチルカヤノリドA
  • 1-O-Acetyl khayanolide A
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