| Properties | Image |
|---|
| MNX_ID | MNXM1180887 |
 |
| reference | envipathM:...32963db7d22f |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | JTEVPKMCRIRBDO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-33(47)25(42)13-31(53-19)57-35-21(3)55-32(15-27(35)44)58-34-20(2)54-30(14-26(34)43)56-22-6-8-36(4)24-12-28(45)37(5)40(50,23(24)7-9-38(36,48)16-22)10-11-41(37,51)39(49)17-29(46)52-18-39/h19-26,28,30-35,42-43,45,47-51H,6-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(O)(CCC6(O)C6(O)COC(=O)C6)C5CCC4(O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-33(47)25(42)13-31(53-19)57-35-21(3)55-32(15-27(35)44)58-34-20(2)54-30(14-26(34)43)56-22-6-8-36(4)24-12-28(45)37(5)40(50,23(24)7-9-38(36,48)16-22)10-11-41(37,51)39(49)17-29(46)52-18-39/h19-26,28,30-35,42-43,45,47-51H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:47])[CH:25]([OH:42])[CH2:13][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:24]6[CH2:12][CH:28]([OH:45])[C:37]7([CH3:5])[C:40]([OH:50])([CH2:10][CH2:11][C:41]7([C:39]7([OH:49])[CH2:17][C:29](=[O:46])[O:52][CH2:18]7)[OH:51])[CH:23]6[CH2:7][CH2:9][C:38]5([OH:48])[CH2:16]4)[CH2:14][CH:26]3[OH:43])[CH2:15][C:27]2=[O:44])[O:53]1 |
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