| Properties | Image |
|---|
| MNX_ID | MNXM1185224 |
 |
| reference | envipathM:...0121645eef36 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | NGLMMXLRKIYKCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-36(57-33-15-27(45)37(19(2)54-33)58-34-13-25(43)35(49)28(16-42)56-34)26(44)14-32(53-18)55-22-9-20-5-6-23-24(38(20,3)29(46)11-22)12-30(47)39(4)40(50,7-8-41(23,39)51)21-10-31(48)52-17-21/h10,18-20,22-30,32-37,42-47,49-51H,5-9,11-17H2,1-4H3 |
| 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(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-36(57-33-15-27(45)37(19(2)54-33)58-34-13-25(43)35(49)28(16-42)56-34)26(44)14-32(53-18)55-22-9-20-5-6-23-24(38(20,3)29(46)11-22)12-30(47)39(4)40(50,7-8-41(23,39)51)21-10-31(48)52-17-21/h10,18-20,22-30,32-37,42-47,49-51H,5-9,11-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:15][CH:27]([OH:45])[CH:37]([O:58][CH:34]3[CH2:13][CH:25]([OH:43])[CH:35]([OH:49])[CH:28]([CH2:16][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:26]([OH:44])[CH2:14][CH:32]([O:55][CH:22]2[CH2:9][CH:20]3[CH2:5][CH2:6][CH:23]4[CH:24]([CH2:12][CH:30]([OH:47])[C:39]5([CH3:4])[C:40]([C:21]6=[CH:10][C:31](=[O:48])[O:52][CH2:17]6)([OH:50])[CH2:7][CH2:8][C:41]45[OH:51])[C:38]3([CH3:3])[CH:29]([OH:46])[CH2:11]2)[O:53]1 |
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