| Properties | Image |
|---|
| MNX_ID | MNXM107350 |
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| reference | chebi:66806 |
| formula | C41H72N2O9 |
| global charge | 0 |
| mol weight | 737.032 |
| InChIKey | HIPXPNHGBRGNFB-WWQAAKFXSA-N |
| InChI | InChI=1S/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37-,38+,39+,40-,41-/m1/s1 |
| SMILES | COC(/C=C/CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N)CCCCCCCC1NCCC2=C1C=C(O)C(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37-,38+,39+,40-,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:29]([C@@H:36]([CH2:23][CH2:19][CH2:15][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:12]/[CH:16]=[CH:20]/[CH:31]([CH2:21][CH2:17][CH2:13][CH2:11][CH2:14][CH2:18][CH2:22][CH:33]1[C:32]2=[CH:27][C:35]([OH:46])=[C:34]([OH:45])[CH:26]=[C:30]2[CH2:24][CH2:25][NH:43]1)[O:50][CH3:2])[O:51][C@H:41]1[C@H:40]([OH:49])[C@@H:39]([OH:48])[C@@H:38]([OH:47])[C@@H:37]([CH2:28][OH:44])[O:52]1)[NH2:42] |
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