| Properties | Image |
|---|
| MNX_ID | MNXM1195145 |
 |
| reference | envipathM:...e5075739a1ff |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | XHMYATMGQTYBAB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-36(57-33-14-26(45)37(19(2)54-33)58-34-12-24(43)35(49)27(16-42)56-34)25(44)13-32(53-18)55-22-5-7-38(3)21(10-22)11-30(47)41(51)28(38)15-29(46)39(4)23(6-8-40(39,41)50)20-9-31(48)52-17-20/h9,16,18-19,21-30,32-37,43-47,49-51H,5-8,10-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2(O)C3CC(O)C3(C)C(C4=CC(=O)OC4)CCC32O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(57-33-14-26(45)37(19(2)54-33)58-34-12-24(43)35(49)27(16-42)56-34)25(44)13-32(53-18)55-22-5-7-38(3)21(10-22)11-30(47)41(51)28(38)15-29(46)39(4)23(6-8-40(39,41)50)20-9-31(48)52-17-20/h9,16,18-19,21-30,32-37,43-47,49-51H,5-8,10-15,17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:14][CH:26]([OH:45])[CH:37]([O:58][CH:34]3[CH2:12][CH:24]([OH:43])[CH:35]([OH:49])[CH:27]([CH:16]=[O:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:13][CH:32]([O:55][CH:22]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:21]([CH2:10]2)[CH2:11][CH:30]([OH:47])[C:41]2([OH:51])[CH:28]3[CH2:15][CH:29]([OH:46])[C:39]3([CH3:4])[CH:23]([C:20]4=[CH:9][C:31](=[O:48])[O:52][CH2:17]4)[CH2:6][CH2:8][C:40]32[OH:50])[O:53]1 |
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