| Properties | Image |
|---|
| MNX_ID | MNXM108729 |
 |
| reference | chebi:66431 |
| formula | C30H40O4 |
| global charge | 0 |
| mol weight | 464.646 |
| InChIKey | VJNOAOVMGNCSPJ-ZCTPSQTASA-N |
| InChI | InChI=1S/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25+,29+,30-/m0/s1 |
| SMILES | CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:7][CH2:11][C@H:25]([C@@H:19]([CH3:2])[C@H:22]2[CH2:14][CH2:16][C@@:30]3([CH3:6])[C:24]4=[C:21]([CH2:13][CH2:15][C@:29]23[CH3:5])[CH:17]=[C:20]2[CH:8]=[CH:12][C:26](=[O:31])[O:34][C:28]([CH3:3])([CH3:4])[C@@H:23]2[CH2:9][CH2:10]4)[O:33][C:27]1=[O:32] |
|