| Properties | Image |
|---|
| MNX_ID | MNXM1172841 |
 |
| reference | envipathM:...b4595f4294c7 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | IGCXOTGCIACHMH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-35(48)26(42)14-33(52-18)56-37-20(3)54-34(16-28(37)44)57-36-19(2)53-32(15-27(36)43)55-23-10-21-6-7-24-25(38(21,4)29(45)12-23)13-30(46)39(5)40(49,8-9-41(24,39)50)22-11-31(47)51-17-22/h11,18-21,23-26,28,32-37,42,44,48-50H,6-10,12-17H2,1-5H3 |
| SMILES | CC1OC(OC2CC(=O)C3(C)C(CCC4C3CC(=O)C3(C)C(O)(C5=CC(=O)OC5)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-35(48)26(42)14-33(52-18)56-37-20(3)54-34(16-28(37)44)57-36-19(2)53-32(15-27(36)43)55-23-10-21-6-7-24-25(38(21,4)29(45)12-23)13-30(46)39(5)40(49,8-9-41(24,39)50)22-11-31(47)51-17-22/h11,18-21,23-26,28,32-37,42,44,48-50H,6-10,12-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,26?,28?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[CH:26]([OH:42])[CH2:14][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[CH2:10][CH:21]5[CH2:6][CH2:7][CH:24]6[CH:25]([CH2:13][C:30](=[O:46])[C:39]7([CH3:5])[C:40]([C:22]8=[CH:11][C:31](=[O:47])[O:51][CH2:17]8)([OH:49])[CH2:8][CH2:9][C:41]67[OH:50])[C:38]5([CH3:4])[C:29](=[O:45])[CH2:12]4)[CH2:15][C:27]3=[O:43])[CH2:16][CH:28]2[OH:44])[O:52]1 |
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