| Properties | Image |
|---|
| MNX_ID | MNXM1189043 |
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| reference | envipathM:...3f54a21561c3 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | OTYXQWQOMYRLJB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-19-34(48)23(43)12-32(53-19)58-36-25(45)14-33(56-26(36)17-42)57-35-20(2)54-31(13-24(35)44)55-22-7-9-37(3)21(11-22)5-6-28-40(50)10-8-27(39(49)16-30(47)52-18-39)38(40,4)29(46)15-41(28,37)51/h19-22,24,26-29,31-36,42,44,46,48-51H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C7(O)COC(=O)C7)CCC65O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-34(48)23(43)12-32(53-19)58-36-25(45)14-33(56-26(36)17-42)57-35-20(2)54-31(13-24(35)44)55-22-7-9-37(3)21(11-22)5-6-28-40(50)10-8-27(39(49)16-30(47)52-18-39)38(40,4)29(46)15-41(28,37)51/h19-22,24,26-29,31-36,42,44,46,48-51H,5-18H2,1-4H3/t19?,20?,21?,22?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:48])[C:23](=[O:43])[CH2:12][CH:32]([O:58][CH:36]2[C:25](=[O:45])[CH2:14][CH:33]([O:57][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:55][CH:22]4[CH2:7][CH2:9][C:37]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:28]6[C:40]7([OH:50])[CH2:10][CH2:8][CH:27]([C:39]8([OH:49])[CH2:16][C:30](=[O:47])[O:52][CH2:18]8)[C:38]7([CH3:4])[CH:29]([OH:46])[CH2:15][C:41]65[OH:51])[CH2:11]4)[CH2:13][CH:24]3[OH:44])[O:56][CH:26]2[CH2:17][OH:42])[O:53]1 |
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