Chem
J-GLOBAL ID：200907031060314457
Nikkaji number：J1.462.428G
3β-(4-Hydroxy-3,3-dimethyl-1,4-dioxobutoxy)urs-12-ene-28-oic acid
3β-(4-ヒドロキシ-3,3-ジメチル-1,4-ジオキソブトキシ)ウルサ-12-エン-28-酸
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
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
Molecular formula： C36H56O6
Molecular formula furigana： C36-H56-O6
Molecular weight： 584.838
InChI：
InChI=1S/C36H56O6/c1-21-12-17-36(30(40)41)19-18-34(8)23(28(36)22(21)2)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h10,21-22,24-26,28H,11-20H2,1-9H3,(H,38,39)(H,40,41)/t21-,22+,24+,25-,26+,28+,33+,34-,35-,36+/m1/s1
InChI key：
KSXVQSFQASMLRX-KVVGEXSSSA-N
SMILES：
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name (3)：
- 3β-(4-ヒドロキシ-3,3-ジメチル-1,4-ジオキソブトキシ)ウルサ-12-エン-28-酸
- (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(3-カルボキシ-3,3-ジメチルプロパノイル)オキシ]-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
- (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(3-carboxy-3,3-dimethylpropanoyl)oxy]-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
- 3β-(4-Hydroxy-3,3-dimethyl-1,4-dioxobutoxy)urs-12-ene-28-oic acid
Return to Previous Page
