| Properties | Image |
|---|
| MNX_ID | MNXM1172868 |
 |
| reference | envipathM:...efc7151e548e |
| formula | C39H62O15 |
| global charge | 0 |
| mol weight | 770.91 |
| InChIKey | DCKCMXKSOSCYGB-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H62O15/c1-18-35(53-32-15-27(44)36(19(2)50-32)54-33-13-25(42)34(47)29(17-41)52-33)26(43)14-31(49-18)51-21-7-9-37(3)20(11-21)5-6-22-24(37)12-30(46)38(4)23(28(45)16-40)8-10-39(22,38)48/h18-27,29,31-36,40-44,47-48H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(=O)C3(C)C(C(=O)CO)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C39H62O15/c1-18-35(53-32-15-27(44)36(19(2)50-32)54-33-13-25(42)34(47)29(17-41)52-33)26(43)14-31(49-18)51-21-7-9-37(3)20(11-21)5-6-22-24(37)12-30(46)38(4)23(28(45)16-40)8-10-39(22,38)48/h18-27,29,31-36,40-44,47-48H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:53][CH:32]2[CH2:15][CH:27]([OH:44])[CH:36]([O:54][CH:33]3[CH2:13][CH:25]([OH:42])[CH:34]([OH:47])[CH:29]([CH2:17][OH:41])[O:52]3)[CH:19]([CH3:2])[O:50]2)[CH:26]([OH:43])[CH2:14][CH:31]([O:51][CH:21]2[CH2:7][CH2:9][C:37]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:22]4[CH:24]3[CH2:12][C:30](=[O:46])[C:38]3([CH3:4])[CH:23]([C:28]([CH2:16][OH:40])=[O:45])[CH2:8][CH2:10][C:39]43[OH:48])[CH2:11]2)[O:49]1 |
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