| Properties | Image |
|---|
| MNX_ID | MNXM728092 |
 |
| reference | hmdb:HMDB0033696 |
| formula | C39H63NO11 |
| global charge | 0 |
| mol weight | 721.929 |
| InChIKey | OCVQAFQRXHOFMV-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3 |
| SMILES | CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)CCC6(C)C5CCC43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH2:5][CH2:8][CH:25]2[CH:19]([CH3:2])[CH:29]3[CH:26]([CH2:14][CH:24]4[CH:22]5[CH2:7][CH:6]=[C:20]6[CH2:13][CH:21]([O:48][CH:37]7[CH:34]([OH:47])[CH:35]([O:51][CH:36]8[CH:33]([OH:46])[CH:32]([OH:45])[CH:30]([OH:43])[CH:27]([CH2:16][OH:41])[O:49]8)[CH:31]([OH:44])[CH:28]([CH2:17][OH:42])[O:50]7)[CH2:9][CH2:11][C:38]6([CH3:3])[CH:23]5[CH2:10][CH2:12][C:39]43[CH3:4])[N:40]2[CH2:15]1 |
|