| Properties | Image |
|---|
| MNX_ID | MNXM1186656 |
 |
| reference | envipathM:...c9d5ca3c7ab8 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | OQAZTKJUTXOAGD-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-35(50)25(44)13-33(53-19)58-37-27(46)15-34(56-28(37)18-43)57-36-20(2)54-32(14-26(36)45)55-23-7-9-38(3)22(12-23)5-6-29-40(51)10-8-24(21(17-42)11-31(48)49)39(40,4)30(47)16-41(29,38)52/h17,19-30,32-37,43-47,50-52H,5-16,18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C(C=O)CC(=O)[O-])CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-35(50)25(44)13-33(53-19)58-37-27(46)15-34(56-28(37)18-43)57-36-20(2)54-32(14-26(36)45)55-23-7-9-38(3)22(12-23)5-6-29-40(51)10-8-24(21(17-42)11-31(48)49)39(40,4)30(47)16-41(29,38)52/h17,19-30,32-37,43-47,50-52H,5-16,18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:50])[CH:25]([OH:44])[CH2:13][CH:33]([O:58][CH:37]2[CH:27]([OH:46])[CH2:15][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:55][CH:23]4[CH2:7][CH2:9][C:38]5([CH3:3])[CH:22]([CH2:5][CH2:6][CH:29]6[C:40]7([OH:51])[CH2:10][CH2:8][CH:24]([CH:21]([CH2:11][C:31](=[O:48])[OH:49])[CH:17]=[O:42])[C:39]7([CH3:4])[CH:30]([OH:47])[CH2:16][C:41]65[OH:52])[CH2:12]4)[CH2:14][CH:26]3[OH:45])[O:56][CH:28]2[CH2:18][OH:43])[O:53]1 |
|