| Properties | Image |
|---|
| MNX_ID | MNXM1182981 |
 |
| reference | envipathM:...97af59bee347 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | QAEPTFCTWWJQAC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-37(57-33-13-27(46)38(18(2)54-33)58-34-11-25(44)36(50)29(15-42)56-34)26(45)12-32(53-17)55-20-5-6-39(3)21-10-30(48)40(4)35(19-7-31(49)52-16-19)28(47)14-41(40,51)22(21)9-24(43)23(39)8-20/h7,15,17-18,20-30,32-38,43-48,50-51H,5-6,8-14,16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C4=CC(=O)OC4)C(O)CC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-37(57-33-13-27(46)38(18(2)54-33)58-34-11-25(44)36(50)29(15-42)56-34)26(45)12-32(53-17)55-20-5-6-39(3)21-10-30(48)40(4)35(19-7-31(49)52-16-19)28(47)14-41(40,51)22(21)9-24(43)23(39)8-20/h7,15,17-18,20-30,32-38,43-48,50-51H,5-6,8-14,16H2,1-4H3/t17?,18?,20?,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:17]1[CH:37]([O:57][CH:33]2[CH2:13][CH:27]([OH:46])[CH:38]([O:58][CH:34]3[CH2:11][CH:25]([OH:44])[CH:36]([OH:50])[CH:29]([CH:15]=[O:42])[O:56]3)[CH:18]([CH3:2])[O:54]2)[CH:26]([OH:45])[CH2:12][CH:32]([O:55][CH:20]2[CH2:5][CH2:6][C:39]3([CH3:3])[CH:21]4[CH2:10][CH:30]([OH:48])[C:40]5([CH3:4])[CH:35]([C:19]6=[CH:7][C:31](=[O:49])[O:52][CH2:16]6)[CH:28]([OH:47])[CH2:14][C:41]5([OH:51])[CH:22]4[CH2:9][CH:24]([OH:43])[CH:23]3[CH2:8]2)[O:53]1 |
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