| Properties | Image |
|---|
| MNX_ID | MNXM1192657 |
 |
| reference | envipathM:...f06f7b3f703f |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | XBLBKXANRYQFBK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-35(48)26(42)13-33(52-18)56-37-20(3)54-34(15-28(37)44)57-36-19(2)53-32(14-27(36)43)55-23-8-9-38(4)21(10-23)6-7-24-25(38)12-29(45)39(5)40(24,49)16-30(46)41(39,50)22-11-31(47)51-17-22/h11,18-21,23-25,27-29,32-37,43-45,48-50H,6-10,12-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(O)(C7=CC(=O)OC7)C(=O)CC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-35(48)26(42)13-33(52-18)56-37-20(3)54-34(15-28(37)44)57-36-19(2)53-32(14-27(36)43)55-23-8-9-38(4)21(10-23)6-7-24-25(38)12-29(45)39(5)40(24,49)16-30(46)41(39,50)22-11-31(47)51-17-22/h11,18-21,23-25,27-29,32-37,43-45,48-50H,6-10,12-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[C:26](=[O:42])[CH2:13][CH:33]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:24]6[CH:25]5[CH2:12][CH:29]([OH:45])[C:39]5([CH3:5])[C:40]6([OH:49])[CH2:16][C:30](=[O:46])[C:41]5([C:22]5=[CH:11][C:31](=[O:47])[O:51][CH2:17]5)[OH:50])[CH2:10]4)[CH2:14][CH:27]3[OH:43])[CH2:15][CH:28]2[OH:44])[O:52]1 |
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