OZ4
Summary
| Name: | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one |
| Formula: | C27 H33 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 431.57 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)nc6c5ccc7OC(C=Cc67)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C27H33N3O2/c1-15-9-11-30-14-26-12-18-16-6-7-19-17(8-10-24(2,3)32-19)21(16)28-22(18)25(4,5)20(26)13-27(15,30)23(31)29-26/h6-8,10,15,20,28H,9,11-14H2,1-5H3,(H,29,31)/t15-,20-,26+,27+/m0/s1 |
| InChIKey | InChI | 1.03 | NZXZONUAPKPCQR-CVXXBLRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN2C[C@]34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C)[C@@H]3C[C@]12C(=O)N4 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN2C[C]34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C)[CH]3C[C]12C(=O)N4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN2C13CC4C(c5c(c6ccc7c(c6[nH]5)C=CC(O7)(C)C)CC4(C2)NC3=O)(C)C |
