| Properties | Image |
|---|
| MNX_ID | MNXM1177259 |
 |
| reference | envipathM:...90cb01562d5e |
| formula | C41H68O12 |
| global charge | -2 |
| mol weight | 752.983 |
| InChIKey | KSBWJXHUGDFZOJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H70O12/c1-3-4-5-14-21-26-35-36(53-35)27-22-18-17-20-25-34(43)39(47)51-31-33(30-42)52-38(46)28-23-16-13-11-9-7-6-8-10-12-15-19-24-32(2)41(50,40(48)49)29-37(44)45/h6,8,14,21,32-36,42-43,50H,3-5,7,9-13,15-20,22-31H2,1-2H3,(H,44,45)(H,48,49)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H70O12/c1-3-4-5-14-21-26-35-36(53-35)27-22-18-17-20-25-34(43)39(47)51-31-33(30-42)52-38(46)28-23-16-13-11-9-7-6-8-10-12-15-19-24-32(2)41(50,40(48)49)29-37(44)45/h6,8,14,21,32-36,42-43,50H,3-5,7,9-13,15-20,22-31H2,1-2H3,(H,44,45)(H,48,49)/b8-6?,21-14?/t32?,33?,34?,35?,36?,41? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:14]=[CH:21][CH2:26][CH:35]1[CH:36]([CH2:27][CH2:22][CH2:18][CH2:17][CH2:20][CH2:25][CH:34]([C:39](=[O:47])[O:51][CH2:31][CH:33]([CH2:30][OH:42])[O:52][C:38]([CH2:28][CH2:23][CH2:16][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:15][CH2:19][CH2:24][CH:32]([CH3:2])[C:41]([CH2:29][C:37](=[O:44])[OH:45])([C:40](=[O:48])[OH:49])[OH:50])=[O:46])[OH:43])[O:53]1 |
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