| Properties | Image |
|---|
| MNX_ID | MNXM1187126 |
 |
| reference | envipathM:...b5d37627cee8 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | FOMOTNPZVHKXOJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-18-34(48)25(42)12-32(52-18)56-36-20(3)54-33(14-27(36)44)57-35-19(2)53-31(13-26(35)43)55-22-8-9-38(4)21(10-22)6-7-23-24(38)11-29(46)39(5)37(28(45)15-41(23,39)50)40(49)16-30(47)51-17-40/h18-27,29,31-37,42-44,46,48-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7(O)COC(=O)C7)C(=O)CC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-34(48)25(42)12-32(52-18)56-36-20(3)54-33(14-27(36)44)57-35-19(2)53-31(13-26(35)43)55-22-8-9-38(4)21(10-22)6-7-23-24(38)11-29(46)39(5)37(28(45)15-41(23,39)50)40(49)16-30(47)51-17-40/h18-27,29,31-37,42-44,46,48-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:25]([OH:42])[CH2:12][CH:32]([O:56][CH:36]2[CH:20]([CH3:3])[O:54][CH:33]([O:57][CH:35]3[CH:19]([CH3:2])[O:53][CH:31]([O:55][CH:22]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:23]6[CH:24]5[CH2:11][CH:29]([OH:46])[C:39]5([CH3:5])[CH:37]([C:40]7([OH:49])[CH2:16][C:30](=[O:47])[O:51][CH2:17]7)[C:28](=[O:45])[CH2:15][C:41]65[OH:50])[CH2:10]4)[CH2:13][CH:26]3[OH:43])[CH2:14][CH:27]2[OH:44])[O:52]1 |
|