Chem
J-GLOBAL ID：200907044614227866   Nikkaji number：J1.517.556G

ER-076349

(1R,3S,6S,9S,12S,14R,16R,18S,20R,21R,22R,26R,29S,31S,32R,33R,35S,36S)-20-[(1S)-1,2-ジヒドロキシエチル]-21-メトキシ-14-メチル-8,15-ジメチリデン-2,19,30,34,37,39,40,41-オクタオキサノナシクロ[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]ヘンテトラコンタン-24-オン
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： C39H56O12
Molecular formula furigana： C39-H56-O12
Molecular weight： 716.865
InChI： InChI=1S/C39H56O12/c1-18-11-22-5-7-27-19(2)12-24(44-27)9-10-39-16-31-35(50-39)36-37(49-31)38(51-39)34-28(47-36)8-6-23(46-34)13-21(41)14-25-30(15-29(45-22)20(18)3)48-33(26(42)17-40)32(25)43-4/h18,22-38,40,42H,2-3,5-17H2,1,4H3/t18-,22+,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35-,36-,37+,38-,39+/m1/s1
InChI key： BYTUZOZDOODLOS-JGAPOTTDSA-N
SMILES： CO[C@@H]1[C@@H]2CC(=O)C[C@H]3CC[C@@H]4O[C@@H]5[C@@H]6O[C@@]7(C[C@H]6O[C@@H]5[C@H](O7)[C@H]4O3)CC[C@H]3CC(=C)[C@H](CC[C@H]4C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@@H]1[C@@H](O)CO)O4)O3
Systematic name  (3)：
  • (1S,4S,7S,10S,12R,14R,16S,18R,19R,20R,24R,27S,28S,29R,30S,31S,32R,33R)-6,13-ジメチレン-12-メチル-18-[(1S)-1,2-ジヒドロキシエチル]-19-メトキシ-17,35,36,37,38,39,40,41-オクタオキサノナシクロ[30.2.1.11,29.14,7.110,14.124,28.127,31.130,33.016,20]ヘンテトラコンタン-22-オン
  • (1R,3S,6S,9S,12S,14R,16R,18S,20R,21R,22R,26R,29S,31S,32R,33R,35S,36S)-20-[(1S)-1,2-ジヒドロキシエチル]-21-メトキシ-14-メチル-8,15-ジメチリデン-2,19,30,34,37,39,40,41-オクタオキサノナシクロ[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]ヘンテトラコンタン-24-オン
  • (1R,3S,6S,9S,12S,14R,16R,18S,20R,21R,22R,26R,29S,31S,32R,33R,35S,36S)-20-[(1S)-1,2-dihydroxyethyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
Other name (2)：
  • (1S,4S,7S,10S,12R,14R,16S,18R,19R,20R,24R,27S,28S,29R,30S,31S,32R,33R)-6,13-Dimethylene-12-methyl-18-[(1S)-1,2-dihydroxyethyl]-19-methoxy-17,35,36,37,38,39,40,41-octaoxanonacyclo[30.2.1.11,29.14,7.110,14.124,28.127,31.130,33.016,20]hentetracontane-22-one
  • ER-076349
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