| Properties | Image |
|---|
| MNX_ID | MNXM1174707 |
 |
| reference | envipathM:...aca2447667f7 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | JCDZFEICVFJLIT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-18-34(58-31-15-25(45)35(19(2)54-31)59-32-13-23(43)33(48)26(17-42)56-32)24(44)14-30(53-18)55-21-6-7-37(3)20(11-21)5-8-40(51)27(37)16-28(46)38(4)39(50,9-10-41(38,40)52)22-12-29(47)57-36(22)49/h18-28,30-36,42-46,48-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C5CC(=O)OC5O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-34(58-31-15-25(45)35(19(2)54-31)59-32-13-23(43)33(48)26(17-42)56-32)24(44)14-30(53-18)55-21-6-7-37(3)20(11-21)5-8-40(51)27(37)16-28(46)38(4)39(50,9-10-41(38,40)52)22-12-29(47)57-36(22)49/h18-28,30-36,42-46,48-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([O:58][CH:31]2[CH2:15][CH:25]([OH:45])[CH:35]([O:59][CH:32]3[CH2:13][CH:23]([OH:43])[CH:33]([OH:48])[CH:26]([CH2:17][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:24]([OH:44])[CH2:14][CH:30]([O:55][CH:21]2[CH2:6][CH2:7][C:37]3([CH3:3])[CH:20]([CH2:5][CH2:8][C:40]4([OH:51])[CH:27]3[CH2:16][CH:28]([OH:46])[C:38]3([CH3:4])[C:39]([CH:22]5[CH2:12][C:29](=[O:47])[O:57][CH:36]5[OH:49])([OH:50])[CH2:9][CH2:10][C:41]34[OH:52])[CH2:11]2)[O:53]1 |
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