| Properties | Image |
|---|
| MNX_ID | MNXM101209 |
 |
| reference | chebi:67293 |
| formula | C30H40O7 |
| global charge | 0 |
| mol weight | 512.643 |
| InChIKey | WGBLBVXSYGYVPN-VQDQNZKNSA-N |
| InChI | InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30-/m0/s1 |
| SMILES | CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=CC[C@@H](C6=COC=C6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[O:31])[O:36][C@@H:22]1[CH2:13][C@H:23]([O:37][C:17]([CH3:2])=[O:32])[C@:30]2([CH3:6])[C@H:21]3[CH2:9][CH2:11][C@@:27]4([CH3:3])[C@H:19]([C:18]5=[CH:14][O:34][CH:12]=[CH:10]5)[CH2:7][CH:8]=[C:20]4[C@:29]3([CH3:5])[C@H:26]([OH:33])[C@H:24]3[C@H:25]2[C@:28]1([CH3:4])[CH2:15][O:35]3 |
|