| Properties | Image |
|---|
| MNX_ID | MNXM1171181 |
 |
| reference | envipathM:...90d085e6f241 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | ACMODPGKFCVCQJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-35(50)25(43)13-33(53-18)57-37-20(3)55-34(15-27(37)45)58-36-19(2)54-32(14-26(36)44)56-23-11-22-6-8-40(51)28(38(22,4)29(46)12-23)16-30(47)39(5)24(7-9-41(39,40)52)21(17-42)10-31(48)49/h10,17-20,22-24,26-30,32-37,44-47,50-52H,6-9,11-16H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6(O)C5CC(O)C5(C)C(C(C=O)=CC(=O)[O-])CCC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(50)25(43)13-33(53-18)57-37-20(3)55-34(15-27(37)45)58-36-19(2)54-32(14-26(36)44)56-23-11-22-6-8-40(51)28(38(22,4)29(46)12-23)16-30(47)39(5)24(7-9-41(39,40)52)21(17-42)10-31(48)49/h10,17-20,22-24,26-30,32-37,44-47,50-52H,6-9,11-16H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[C:25](=[O:43])[CH2:13][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:23]4[CH2:11][CH:22]5[CH2:6][CH2:8][C:40]6([OH:51])[CH:28]([CH2:16][CH:30]([OH:47])[C:39]7([CH3:5])[CH:24]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH:17]=[O:42])[CH2:7][CH2:9][C:41]76[OH:52])[C:38]5([CH3:4])[CH:29]([OH:46])[CH2:12]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:53]1 |
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