| Properties | Image |
|---|
| MNX_ID | MNXM1172981 |
 |
| reference | envipathM:...df6bb5fd14c6 |
| formula | C35H51O13 |
| global charge | -1 |
| mol weight | 679.78 |
| InChIKey | LCRGVVIVXHZJAA-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H52O13/c1-17-30(42)24(37)14-29(45-17)48-31-18(2)46-28(15-25(31)38)47-21-7-8-32(3)19(11-21)5-6-22-23(32)13-26(39)33(4)34(43,9-10-35(22,33)44)20(16-36)12-27(40)41/h12,17-19,21-23,26,28-31,36,39,42-44H,5-11,13-16H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H52O13/c1-17-30(42)24(37)14-29(45-17)48-31-18(2)46-28(15-25(31)38)47-21-7-8-32(3)19(11-21)5-6-22-23(32)13-26(39)33(4)34(43,9-10-35(22,33)44)20(16-36)12-27(40)41/h12,17-19,21-23,26,28-31,36,39,42-44H,5-11,13-16H2,1-4H3,(H,40,41)/b20-12?/t17?,18?,19?,21?,22?,23?,26?,28?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([OH:42])[C:24](=[O:37])[CH2:14][CH:29]([O:48][CH:31]2[CH:18]([CH3:2])[O:46][CH:28]([O:47][CH:21]3[CH2:7][CH2:8][C:32]4([CH3:3])[CH:19]([CH2:5][CH2:6][CH:22]5[CH:23]4[CH2:13][CH:26]([OH:39])[C:33]4([CH3:4])[C:34]([C:20](=[CH:12][C:27](=[O:40])[OH:41])[CH2:16][OH:36])([OH:43])[CH2:9][CH2:10][C:35]54[OH:44])[CH2:11]3)[CH2:15][C:25]2=[O:38])[O:45]1 |
|