| Properties | Image |
|---|
| MNX_ID | MNXM1186175 |
 |
| reference | envipathM:...56073f3fb7c1 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | IRSOJKRQBDJJSW-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-19-34(48)24(43)12-31(53-19)57-35-20(2)54-32(13-25(35)44)58-36-26(45)14-33(56-27(36)17-42)55-22-5-8-37(3)39(49,15-22)9-7-28-40(50)10-6-23(21-11-30(47)52-18-21)38(40,4)29(46)16-41(28,37)51/h11,19-20,22-28,31-33,35-36,42-45,49-51H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6C7(O)CCC(C8=CC(=O)OC8)C7(C)C(=O)CC65O)C4)OC3CO)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-19-34(48)24(43)12-31(53-19)57-35-20(2)54-32(13-25(35)44)58-36-26(45)14-33(56-27(36)17-42)55-22-5-8-37(3)39(49,15-22)9-7-28-40(50)10-6-23(21-11-30(47)52-18-21)38(40,4)29(46)16-41(28,37)51/h11,19-20,22-28,31-33,35-36,42-45,49-51H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[C:34](=[O:48])[CH:24]([OH:43])[CH2:12][CH:31]([O:57][CH:35]2[CH:20]([CH3:2])[O:54][CH:32]([O:58][CH:36]3[CH:26]([OH:45])[CH2:14][CH:33]([O:55][CH:22]4[CH2:5][CH2:8][C:37]5([CH3:3])[C:39]([OH:49])([CH2:9][CH2:7][CH:28]6[C:40]7([OH:50])[CH2:10][CH2:6][CH:23]([C:21]8=[CH:11][C:30](=[O:47])[O:52][CH2:18]8)[C:38]7([CH3:4])[C:29](=[O:46])[CH2:16][C:41]65[OH:51])[CH2:15]4)[O:56][CH:27]3[CH2:17][OH:42])[CH2:13][CH:25]2[OH:44])[O:53]1 |
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