| Properties | Image |
|---|
| MNX_ID | MNXM1197384 |
 |
| reference | envipathM:...6bf152dc0586 |
| formula | C32H38NO6 |
| global charge | -1 |
| mol weight | 532.657 |
| InChIKey | PMHFADSFBDJUOR-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H39NO6/c1-31(2,30(37)38)24-15-13-23(14-16-24)29(36)21-28(35)22-33-19-17-27(18-20-34)32(39,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,20,27-29,33,35-36,39H,17-19,21-22H2,1-2H3,(H,37,38)/p-1 |
| SMILES | CC(C)(C(=O)[O-])C1=CC=C(C(O)CC(O)CNCCC(CC=O)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H39NO6/c1-31(2,30(37)38)24-15-13-23(14-16-24)29(36)21-28(35)22-33-19-17-27(18-20-34)32(39,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,20,27-29,33,35-36,39H,17-19,21-22H2,1-2H3,(H,37,38)/t27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:31]([CH3:2])([C:24]1=[CH:16][CH:14]=[C:23]([CH:29]([CH2:21][CH:28]([CH2:22][NH:33][CH2:19][CH2:17][CH:27]([CH2:18][CH:20]=[O:34])[C:32]([C:25]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)([C:26]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[OH:39])[OH:35])[OH:36])[CH:13]=[CH:15]1)[C:30](=[O:37])[OH:38] |
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