Chem
J-GLOBAL ID：200907073750482179   Nikkaji number：J1.613.978E

3β-(α-L-Arabinopyranosyloxy)urs-12,18-diene-28-oic acid

3β-(α-L-アラビノピラノシルオキシ)ウルサ-12,18-ジエン-28-酸
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： C35H54O7
Molecular formula furigana： C35-H54-O7
Molecular weight： 586.810
InChI： InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23+,24-,25+,27+,28-,29+,32+,33-,34-,35+/m1/s1
InChI key： GCGPCEUHJCFZIV-GOLIOZFDSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1C)C(=O)O
Systematic name  (3)：
  • 3β-(α-L-アラビノピラノシルオキシ)ウルサ-12,18-ジエン-28-酸
  • (2R,4aS,6aS,6bR,8aR,10S,12aR,12bR)-1,2,6a,6b,9,9,12a-ヘプタメチル-10-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-オクタデカヒドロピセン-4a-カルボン酸
  • (2R,4aS,6aS,6bR,8aR,10S,12aR,12bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylic acid
Other name (1)：
  • 3β-(α-L-Arabinopyranosyloxy)urs-12,18-diene-28-oic acid
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