| Properties | Image |
|---|
| MNX_ID | MNXM1189091 |
 |
| reference | envipathM:...a40ef2c0ef69 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | OJQPVJGFGQHKLK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-33(47)23(42)13-31(52-18)57-35-20(3)54-32(15-25(35)44)58-34-19(2)53-30(14-24(34)43)55-22-8-10-37(4)21(12-22)6-7-27-40(50)11-9-26(39(49)17-29(46)56-36(39)48)38(40,5)28(45)16-41(27,37)51/h18-24,26-28,30-36,42-43,45,47-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4(O)CC(O)C4(C)C(C6(O)CC(=O)OC6O)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(47)23(42)13-31(52-18)57-35-20(3)54-32(15-25(35)44)58-34-19(2)53-30(14-24(34)43)55-22-8-10-37(4)21(12-22)6-7-27-40(50)11-9-26(39(49)17-29(46)56-36(39)48)38(40,5)28(45)16-41(27,37)51/h18-24,26-28,30-36,42-43,45,47-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:47])[CH:23]([OH:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:54][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:53][CH:30]([O:55][CH:22]4[CH2:8][CH2:10][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:27]6[C:40]7([OH:50])[CH2:11][CH2:9][CH:26]([C:39]8([OH:49])[CH2:17][C:29](=[O:46])[O:56][CH:36]8[OH:48])[C:38]7([CH3:5])[CH:28]([OH:45])[CH2:16][C:41]65[OH:51])[CH2:12]4)[CH2:14][CH:24]3[OH:43])[CH2:15][C:25]2=[O:44])[O:52]1 |
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