| Properties | Image |
|---|
| MNX_ID | MNXM1186362 |
 |
| reference | envipathM:...eeed7d13991b |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | CTVAGLRBNJVGOS-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-18-34(59-31-13-24(45)35(19(2)56-31)60-32-11-22(43)33(49)25(16-42)58-32)23(44)12-30(55-18)57-21-9-20-5-7-40(52)39(51)8-6-26(38(50)15-29(48)54-17-38)37(39,4)28(47)14-41(40,53)36(20,3)27(46)10-21/h18-28,30-35,42-47,49-53H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4(O)C3(O)CC(O)C3(C)C(C5(O)COC(=O)C5)CCC34O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-18-34(59-31-13-24(45)35(19(2)56-31)60-32-11-22(43)33(49)25(16-42)58-32)23(44)12-30(55-18)57-21-9-20-5-7-40(52)39(51)8-6-26(38(50)15-29(48)54-17-38)37(39,4)28(47)14-41(40,53)36(20,3)27(46)10-21/h18-28,30-35,42-47,49-53H,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:59][CH:31]2[CH2:13][CH:24]([OH:45])[CH:35]([O:60][CH:32]3[CH2:11][CH:22]([OH:43])[CH:33]([OH:49])[CH:25]([CH2:16][OH:42])[O:58]3)[CH:19]([CH3:2])[O:56]2)[CH:23]([OH:44])[CH2:12][CH:30]([O:57][CH:21]2[CH2:9][CH:20]3[CH2:5][CH2:7][C:40]4([OH:52])[C:39]5([OH:51])[CH2:8][CH2:6][CH:26]([C:38]6([OH:50])[CH2:15][C:29](=[O:48])[O:54][CH2:17]6)[C:37]5([CH3:4])[CH:28]([OH:47])[CH2:14][C:41]4([OH:53])[C:36]3([CH3:3])[CH:27]([OH:46])[CH2:10]2)[O:55]1 |
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