| Properties | Image |
|---|
| MNX_ID | MNXM1191126 |
 |
| reference | envipathM:...3170d86d9339 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | ORMWUILDOUZGMG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-34(47)26(42)14-32(51-18)56-36-20(3)53-33(16-28(36)44)57-35-19(2)52-31(15-27(35)43)54-21-6-9-38(4)25-13-29(45)39(5)23(22-12-30(46)55-37(22)48)8-11-41(39,50)24(25)7-10-40(38,49)17-21/h12,18-21,23-25,28-29,31-36,44-45,47,49-50H,6-11,13-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8=O)CCC7(O)C6CCC5(O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-34(47)26(42)14-32(51-18)56-36-20(3)53-33(16-28(36)44)57-35-19(2)52-31(15-27(35)43)54-21-6-9-38(4)25-13-29(45)39(5)23(22-12-30(46)55-37(22)48)8-11-41(39,50)24(25)7-10-40(38,49)17-21/h12,18-21,23-25,28-29,31-36,44-45,47,49-50H,6-11,13-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:47])[C:26](=[O:42])[CH2:14][CH:32]([O:56][CH:36]2[CH:20]([CH3:3])[O:53][CH:33]([O:57][CH:35]3[CH:19]([CH3:2])[O:52][CH:31]([O:54][CH:21]4[CH2:6][CH2:9][C:38]5([CH3:4])[CH:25]6[CH2:13][CH:29]([OH:45])[C:39]7([CH3:5])[CH:23]([C:22]8=[CH:12][C:30](=[O:46])[O:55][C:37]8=[O:48])[CH2:8][CH2:11][C:41]7([OH:50])[CH:24]6[CH2:7][CH2:10][C:40]5([OH:49])[CH2:17]4)[CH2:15][C:27]3=[O:43])[CH2:16][CH:28]2[OH:44])[O:51]1 |
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