MVB
Summary
| Name: | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL |
| Formula: | C18 H26 O4 |
| Formal charge: | 0 |
| Formula weight: | 306.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R,6S)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one |
| OpenEye OEToolkits | 1.5.0 | (4R,6S)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-oxan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3OC(CCC2C1C(=CCCC1O)C=CC2C)CC(O)C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CC[C@H]3C[C@@H](O)CC(=O)O3 |
| SMILES | CACTVS | 3.341 | C[CH]1C=CC2=CCC[CH](O)[CH]2[CH]1CC[CH]3C[CH](O)CC(=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C=CC2=CCCC(C2C1CCC3CC(CC(=O)O3)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14-,15-,16-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | WWSNTLOVYSRDEL-TVKPWXLESA-N |
