Chem
J-GLOBAL ID：200907072244023488   Nikkaji number：J1.924.319B

Chantriolide B

カントリオリド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： C38H54O16
Molecular formula furigana： C38-H54-O16
Molecular weight： 766.834
InChI： InChI=1S/C38H54O16/c1-13-7-21(52-34(46)17(13)12-48-35-29(45)28(44)27(43)23(11-39)53-35)14(2)26-20(42)8-18-25-19(9-24(36(18,26)5)49-15(3)40)37(6)32(50-16(4)41)30-22(51-30)10-38(37,47)33-31(25)54-33/h14,18-33,35,39,42-45,47H,7-12H2,1-6H3/t14-,18+,19+,20+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33+,35-,36-,37+,38+/m1/s1
InChI key： MAUWXIXDBHEPFC-UWOHKWSVSA-N
SMILES： C[C@@H]([C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)C[C@@H]5O[C@@H]5[C@H](OC(=O)C)[C@]4(C)[C@H]3C[C@H](OC(=O)C)[C@]12C)[C@H]1CC(=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1)C
Systematic name  (3)：
  • (22R)-1α,12α-ジアセトキシ-2α,3α:6α,7α-ビスエポキシ-27-(β-D-グルコピラノシルオキシ)-5,16β,22-トリヒドロキシ-5α-エルゴスタ-24-エン-26-酸26,22-ラクトン
  • (1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15S,16R,17S,19S)-10-(アセチルオキシ)-5,17-ジヒドロキシ-11,15-ジメチル-16-[(1S)-1-[(2R)-4-メチル-6-オキソ-5-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-3,8-ジオキサヘキサシクロ[10.7.0.02,4.05,11.07,9.015,19]ノナデカン-14-イル アセタート
  • (1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15S,16R,17S,19S)-10-(acetyloxy)-5,17-dihydroxy-11,15-dimethyl-16-[(1S)-1-[(2R)-4-methyl-6-oxo-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dihydro-2H-pyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl acetate
Other name (3)：
  • (22R)-1α,12α-Diacetoxy-2α,3α:6α,7α-bisepoxy-27-(β-D-glucopyranosyloxy)-5,16β,22-trihydroxy-5α-ergosta-24-ene-26-oic acid 26,22-lactone
  • Chantriolide B
  • カントリオリドB
CAS registry number： 558470-60-3
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