| Properties | Image |
|---|
| MNX_ID | MNXM102152 |
 |
| reference | chebi:67282 |
| formula | C33H36O5 |
| global charge | 0 |
| mol weight | 512.646 |
| InChIKey | BNCQITGVZDTXDN-RCNGYQEYSA-N |
| InChI | InChI=1S/C33H36O5/c1-30(2)24-18-27(38-29(36)20-9-7-6-8-10-20)33(5)23(31(24,3)15-12-26(30)35)11-14-32(4)25(33)17-22(34)28(32)21-13-16-37-19-21/h6-10,12-13,15-17,19,23-24,27-28H,11,14,18H2,1-5H3/t23-,24+,27-,28-,31-,32-,33-/m1/s1 |
| SMILES | CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)[C@H]4C4=COC=C4)[C@]3(C)[C@H](OC(=O)C3=CC=CC=C3)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C33H36O5/c1-30(2)24-18-27(38-29(36)20-9-7-6-8-10-20)33(5)23(31(24,3)15-12-26(30)35)11-14-32(4)25(33)17-22(34)28(32)21-13-16-37-19-21/h6-10,12-13,15-17,19,23-24,27-28H,11,14,18H2,1-5H3/t23-,24+,27-,28-,31-,32-,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30]1([CH3:2])[C@@H:24]2[CH2:18][C@@H:27]([O:38][C:29]([C:20]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)=[O:36])[C@:33]3([CH3:5])[C@H:23]([CH2:11][CH2:14][C@:32]4([CH3:4])[C:25]3=[CH:17][C:22](=[O:34])[C@H:28]4[C:21]3=[CH:19][O:37][CH:16]=[CH:13]3)[C@@:31]2([CH3:3])[CH:15]=[CH:12][C:26]1=[O:35] |
|