| Properties | Image |
|---|
| MNX_ID | MNXM1188924 |
 |
| reference | envipathM:...12940b8555db |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | CEMCVRTYJACEAW-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-17-34(49)25(43)13-32(54-17)58-36-19(3)56-33(15-27(36)45)59-35-18(2)55-31(14-26(35)44)57-20-6-8-38(4)21-12-29(46)39(5)28(40(52,37(50)51)16-30(47)48)7-9-41(39,53)22(21)11-24(42)23(38)10-20/h17-24,26-29,31-37,42,44-46,49-53H,6-16H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(O)(CC(=O)[O-])C(O)O)CCC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-34(49)25(43)13-32(54-17)58-36-19(3)56-33(15-27(36)45)59-35-18(2)55-31(14-26(35)44)57-20-6-8-38(4)21-12-29(46)39(5)28(40(52,37(50)51)16-30(47)48)7-9-41(39,53)22(21)11-24(42)23(38)10-20/h17-24,26-29,31-37,42,44-46,49-53H,6-16H2,1-5H3,(H,47,48)/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[C:25](=[O:43])[CH2:13][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:20]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:21]6[CH2:12][CH:29]([OH:46])[C:39]7([CH3:5])[CH:28]([C:40]([CH2:16][C:30](=[O:47])[OH:48])([CH:37]([OH:50])[OH:51])[OH:52])[CH2:7][CH2:9][C:41]7([OH:53])[CH:22]6[CH2:11][CH:24]([OH:42])[CH:23]5[CH2:10]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:54]1 |
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