Chem
J-GLOBAL ID:200907005833300662   Nikkaji number:J2.734.916A

3-[(1S,4S,5R,7S,8R,10R,12S,13R,15S,16R,17S,18S,19S,20R,21S,22S,23R,25S)-18,25-Dihydroxy-10,17,21,22-tetramethyl-1,5:4,8:7,13:12,16:15,20:19,23:23,26-heptaepoxy-2-oxahexacosane-1-yl]propanoic acid methyl ester

3-[(1S,4S,5R,7S,8R,10R,12S,13R,15S,16R,17S,18S,19S,20R,21S,22S,23R,25S)-18,25-ジヒドロキシ-10,17,21,22-テトラメチル-1,5:4,8:7,13:12,16:15,20:19,23:23,26-ヘプタエポキシ-2-オキサヘキサコサン-1-イル]プロパン酸メチル
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: C33H52O12
Molecular formula furigana: C33-H52-O12
Molecular weight: 640.767
InChI: InChI=1S/C33H52O12/c1-15-8-20-22(10-24-26(41-20)14-38-28(42-24)7-6-27(35)37-5)40-23-11-25-30(43-21(23)9-15)17(3)29(36)32-31(44-25)16(2)18(4)33(45-32)12-19(34)13-39-33/h15-26,28-32,34,36H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20+,21-,22-,23+,24+,25-,26-,28-,29-,30+,31+,32-,33+/m0/s1
InChI key: DLEYULNKBUZQIQ-PGEKJVQTSA-N
SMILES: COC(=O)CC[C@H]1OC[C@@H]2O[C@@H]3C[C@H](C)C[C@@H]4O[C@H]5[C@H](C[C@H]4O[C@H]3C[C@H]2O1)O[C@@H]1[C@@H](C)[C@H](C)[C@@]2(C[C@H](O)CO2)O[C@H]1[C@@H](O)[C@@H]5C
Systematic name  (3):
  • 3-[(1S,4S,5R,7S,8R,10R,12S,13R,15S,16R,17S,18S,19S,20R,21S,22S,23R,25S)-18,25-ジヒドロキシ-10,17,21,22-テトラメチル-1,5:4,8:7,13:12,16:15,20:19,23:23,26-ヘプタエポキシ-2-オキサヘキサコサン-1-イル]プロパン酸メチル
  • メチル 3-[(1R,3S,4'S,5R,7S,10S,12R,14R,16S,18R,19S,20S,21S,23R,24S,25S,26R,28S)-4',20-ジヒドロキシ-14,19,24,25-テトラメチル-2,6,8,11,17,22,27-ヘプタオキサスピロ[ヘキサシクロ[14.13.0.03,12.05,10.018,28.021,26]ノナコサン-23,2'-オキソラン]-7-イル]プロパノアート
  • methyl 3-[(1R,3S,4'S,5R,7S,10S,12R,14R,16S,18R,19S,20S,21S,23R,24S,25S,26R,28S)-4',20-dihydroxy-14,19,24,25-tetramethyl-2,6,8,11,17,22,27-heptaoxaspiro[hexacyclo[14.13.0.03,12.05,10.018,28.021,26]nonacosane-23,2'-oxolan]-7-yl]propanoate
Other name (1):
  • 3-[(1S,4S,5R,7S,8R,10R,12S,13R,15S,16R,17S,18S,19S,20R,21S,22S,23R,25S)-18,25-Dihydroxy-10,17,21,22-tetramethyl-1,5:4,8:7,13:12,16:15,20:19,23:23,26-heptaepoxy-2-oxahexacosane-1-yl]propanoic acid methyl ester
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