OZ7
Summary
| Name: | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one |
| Formula: | C27 H33 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 447.569 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C127C(CCN1CC6(NC2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)(C)C6C7)C |
| InChI | InChI | 1.03 | InChI=1S/C27H33N3O3/c1-15-8-10-30-14-26-12-17-16-6-7-18-21(32-11-9-24(2,3)33-18)20(16)28-22(17)25(4,5)19(26)13-27(15,30)23(31)29-26/h6-7,9,11,15,19,28H,8,10,12-14H2,1-5H3,(H,29,31)/t15-,19-,26+,27+/m0/s1 |
| InChIKey | InChI | 1.03 | CHODRHYJOPXZLV-ZYHIPPEZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN2C[C@]34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)C(C)(C)[C@@H]3C[C@]12C(=O)N4 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN2C[C]34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)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)OC=CC(O7)(C)C)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN2C13CC4C(c5c(c6ccc7c(c6[nH]5)OC=CC(O7)(C)C)CC4(C2)NC3=O)(C)C |
