| Properties | Image |
|---|
| MNX_ID | MNXM104604 |
 |
| reference | chebi:70027 |
| formula | C34H48O11 |
| global charge | 0 |
| mol weight | 632.747 |
| InChIKey | LZMUHRZRHBVVTP-MHEOYVQJSA-N |
| InChI | InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1 |
| SMILES | CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[C:20]([CH2:15][O:43][C@H:32]2[C@H:30]([OH:41])[C@@H:29]([OH:40])[C@H:28]([OH:39])[C@@H:25]([CH2:14][OH:36])[O:45]2)[C:31](=[O:42])[O:44][C@@H:24]([C@@H:19]([CH2:13][OH:35])[C@H:22]2[CH2:10][CH2:9][C@H:21]3[C@@H:18]4[CH2:8][CH:7]=[C:17]5[CH2:5][CH:4]=[CH:6][C:26](=[O:37])[C@:33]5([CH3:2])[C@H:23]4[CH2:12][C@@H:27]([OH:38])[C@@:34]32[CH3:3])[CH2:11]1 |
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