| Properties | Image |
|---|
| MNX_ID | MNXM1171801 |
 |
| reference | envipathM:...45df85b2e45f |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | AMFISMUHDMHOPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-17-35(59-31-13-25(46)36(18(2)56-31)60-32-11-23(44)34(50)26(15-42)58-32)24(45)12-30(55-17)57-20-7-19-8-22(43)33-21(37(19,3)27(47)9-20)10-28(48)38(4)40(33,52)5-6-41(38,53)39(51)14-29(49)54-16-39/h17-28,30-36,42-48,50-53H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(C2)CC(O)C2C3CC(O)C3(C)C2(O)CCC3(O)C2(O)COC(=O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-17-35(59-31-13-25(46)36(18(2)56-31)60-32-11-23(44)34(50)26(15-42)58-32)24(45)12-30(55-17)57-20-7-19-8-22(43)33-21(37(19,3)27(47)9-20)10-28(48)38(4)40(33,52)5-6-41(38,53)39(51)14-29(49)54-16-39/h17-28,30-36,42-48,50-53H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([O:59][CH:31]2[CH2:13][CH:25]([OH:46])[CH:36]([O:60][CH:32]3[CH2:11][CH:23]([OH:44])[CH:34]([OH:50])[CH:26]([CH2:15][OH:42])[O:58]3)[CH:18]([CH3:2])[O:56]2)[CH:24]([OH:45])[CH2:12][CH:30]([O:57][CH:20]2[CH2:7][CH:19]3[CH2:8][CH:22]([OH:43])[CH:33]4[CH:21]([CH2:10][CH:28]([OH:48])[C:38]5([CH3:4])[C:40]4([OH:52])[CH2:5][CH2:6][C:41]5([C:39]4([OH:51])[CH2:14][C:29](=[O:49])[O:54][CH2:16]4)[OH:53])[C:37]3([CH3:3])[CH:27]([OH:47])[CH2:9]2)[O:55]1 |
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