| Properties | Image |
|---|
| MNX_ID | MNXM6945 |
 |
| reference | chebi:138851 |
| formula | C34H50O8 |
| global charge | 0 |
| mol weight | 586.766 |
| InChIKey | QCSFFKFCYQTXGW-ZGLBEODDSA-N |
| InChI | InChI=1S/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19?,20-,24-,25+,26-,27-,29-,30-,31+,33-,34+/m0/s1 |
| SMILES | CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]4(O)CC(=O)C(C)=C[C@H]4C(=O)O3)O2)C[C@H](O)[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19?,20-,24-,25+,26-,27-,29-,30-,31+,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH:19]([CH3:2])[C@@H:31]1[C@@H:24]([CH3:7])[C@@H:29]([OH:36])[CH2:17][C@:33]2([CH2:16][C@@H:26]3[CH2:15][C@@H:25]([CH2:13]/[CH:12]=[C:21](\[CH3:4])[C@@H:30]([OH:37])[C@@H:20]([CH3:3])/[CH:10]=[CH:9]/[CH:11]=[C:23](\[CH3:6])[C@:34]4([OH:39])[CH2:18][C:28](=[O:35])[C:22]([CH3:5])=[CH:14][C@H:27]4[C:32](=[O:38])[O:40]3)[O:41]2)[O:42]1 |
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