| Properties | Image |
|---|
| MNX_ID | MNXM1174161 |
 |
| reference | envipathM:...7216484acb50 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | OFJPVLFQGCDUDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-33(47)23(42)12-31(53-19)57-35-21(3)55-32(14-25(35)44)58-34-20(2)54-30(13-24(34)43)56-22-6-8-36(4)27-15-28(45)37(5)26(38(48)17-29(46)52-18-38)7-9-41(37,51)40(27,50)11-10-39(36,49)16-22/h19-28,30-32,34-35,42-45,48-51H,6-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8(O)COC(=O)C8)CCC7(O)C6(O)CCC5(O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-33(47)23(42)12-31(53-19)57-35-21(3)55-32(14-25(35)44)58-34-20(2)54-30(13-24(34)43)56-22-6-8-36(4)27-15-28(45)37(5)26(38(48)17-29(46)52-18-38)7-9-41(37,51)40(27,50)11-10-39(36,49)16-22/h19-28,30-32,34-35,42-45,48-51H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[C:33](=[O:47])[CH:23]([OH:42])[CH2:12][CH:31]([O:57][CH:35]2[CH:21]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:54][CH:30]([O:56][CH:22]4[CH2:6][CH2:8][C:36]5([CH3:4])[CH:27]6[CH2:15][CH:28]([OH:45])[C:37]7([CH3:5])[CH:26]([C:38]8([OH:48])[CH2:17][C:29](=[O:46])[O:52][CH2:18]8)[CH2:7][CH2:9][C:41]7([OH:51])[C:40]6([OH:50])[CH2:11][CH2:10][C:39]5([OH:49])[CH2:16]4)[CH2:13][CH:24]3[OH:43])[CH2:14][CH:25]2[OH:44])[O:53]1 |
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