| Properties | Image |
|---|
| MNX_ID | MNXM1508488 |
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| reference | hmdb:HMDB0248934 |
| formula | C29H41NO6 |
| global charge | 0 |
| mol weight | 499.648 |
| InChIKey | ZEZFKUBILQRZCK-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3 |
| SMILES | COC1C(OC(=O)C=CC2=CC=C(OCCN(C)C)C=C2)CCC2(CO2)C1C1(C)OC1CC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10?/t23?,24?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:7][CH2:13][CH:24]1[C:28]([CH3:3])([CH:27]2[CH:26]([O:32][CH3:6])[CH:23]([O:35][C:25]([CH:14]=[CH:10][C:21]3=[CH:9][CH:12]=[C:22]([O:33][CH2:18][CH2:17][N:30]([CH3:4])[CH3:5])[CH:11]=[CH:8]3)=[O:31])[CH2:15][CH2:16][C:29]23[CH2:19][O:34]3)[O:36]1 |
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