| Properties | Image |
|---|
| MNX_ID | MNXM148193 |
 |
| reference | metacycM:CPD-17500 |
| formula | C41H66O11 |
| global charge | 0 |
| mol weight | 734.968 |
| InChIKey | NFFZEMWXQGNITJ-XZRDCBDRSA-N |
| InChI | InChI=1S/C41H66O11/c1-28-18-15-13-11-9-7-5-6-8-10-12-14-16-19-33(43)24-38-30(3)37(47)27-41(50,52-38)26-34(44)21-17-20-32(42)22-35(45)23-36(46)25-39(48)51-31(4)29(2)40(28)49/h5-6,8,10-16,18-19,28-38,40,42-47,49-50H,7,9,17,20-27H2,1-4H3/b6-5+,10-8+,13-11+,14-12+,18-15+,19-16+/t28-,29-,30+,31-,32+,33-,34-,35+,36+,37-,38-,40+,41+/m0/s1 |
| SMILES | C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C41H66O11/c1-28-18-15-13-11-9-7-5-6-8-10-12-14-16-19-33(43)24-38-30(3)37(47)27-41(50,52-38)26-34(44)21-17-20-32(42)22-35(45)23-36(46)25-39(48)51-31(4)29(2)40(28)49/h5-6,8,10-16,18-19,28-38,40,42-47,49-50H,7,9,17,20-27H2,1-4H3/b6-5+,10-8+,13-11+,14-12+,18-15+,19-16+/t28-,29-,30+,31-,32+,33-,34-,35+,36+,37-,38-,40+,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:28]1/[CH:18]=[CH:15]/[CH:13]=[CH:11]/[CH2:9][CH2:7]/[CH:5]=[CH:6]/[CH:8]=[CH:10]/[CH:12]=[CH:14]/[CH:16]=[CH:19]/[C@H:33]([OH:43])[CH2:24][C@H:38]2[C@H:30]([CH3:3])[C@@H:37]([OH:47])[CH2:27][C@@:41]([OH:50])([CH2:26][C@@H:34]([OH:44])[CH2:21][CH2:17][CH2:20][C@@H:32]([OH:42])[CH2:22][C@@H:35]([OH:45])[CH2:23][C@@H:36]([OH:46])[CH2:25][C:39](=[O:48])[O:51][C@@H:31]([CH3:4])[C@H:29]([CH3:2])[C@@H:40]1[OH:49])[O:52]2 |
|