0MA
Summary
| Name: | maslinic acid |
| Synonyms: | (2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid |
| Formula: | C30 H46 O4 |
| Formal charge: | 0 |
| Formula weight: | 470.684 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid |
| OpenEye OEToolkits | 1.5.0 | (4aR,6aS,6aR,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C54C=CC(C)(C)CC5C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)C)(C)C3(C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(C=C1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC1(C)C[CH]2C3=CC[CH]4[C]5(C)C[CH](O)[CH](O)C(C)(C)[CH]5CC[C]4(C)[C]3(C)CC[C]2(C=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC2C3=CCC4C(C3(CCC2(C=C1)C(=O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,12,14,19-23,31-32H,9-11,13,15-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | InChI | 1.03 | WZHVXLHLQLNEQU-LLICELPBSA-N |
