| Properties | Image |
|---|
| MNX_ID | MNXM1181347 |
 |
| reference | envipathM:...d0ab56bc233e |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | OFAZZFNHSPYHPU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-35(58-33-14-25(46)36(27(17-43)56-33)59-32-12-23(44)34(49)26(16-42)55-32)24(45)13-31(53-18)54-20-6-8-38(2)19(10-20)4-5-21-22(38)11-29(47)39(3)28(7-9-41(21,39)52)40(51)15-30(48)57-37(40)50/h17-29,31-37,42,44-47,49-52H,4-16H2,1-3H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5(O)CC(=O)OC5O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(58-33-14-25(46)36(27(17-43)56-33)59-32-12-23(44)34(49)26(16-42)55-32)24(45)13-31(53-18)54-20-6-8-38(2)19(10-20)4-5-21-22(38)11-29(47)39(3)28(7-9-41(21,39)52)40(51)15-30(48)57-37(40)50/h17-29,31-37,42,44-47,49-52H,4-16H2,1-3H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:33]2[CH2:14][CH:25]([OH:46])[CH:36]([O:59][CH:32]3[CH2:12][CH:23]([OH:44])[CH:34]([OH:49])[CH:26]([CH2:16][OH:42])[O:55]3)[CH:27]([CH:17]=[O:43])[O:56]2)[CH:24]([OH:45])[CH2:13][CH:31]([O:54][CH:20]2[CH2:6][CH2:8][C:38]3([CH3:2])[CH:19]([CH2:4][CH2:5][CH:21]4[CH:22]3[CH2:11][CH:29]([OH:47])[C:39]3([CH3:3])[CH:28]([C:40]5([OH:51])[CH2:15][C:30](=[O:48])[O:57][CH:37]5[OH:50])[CH2:7][CH2:9][C:41]43[OH:52])[CH2:10]2)[O:53]1 |
|