| Properties | Image |
|---|
| MNX_ID | MNXM1175013 |
 |
| reference | envipathM:...6976f12471f5 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | WQKBWJQWVFFDHR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-19-36(56-33-16-28(45)37(20(2)53-33)57-34-14-26(43)35(48)29(17-42)55-34)27(44)15-32(52-19)54-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(46)39(4)40(49,9-10-41(24,39)50)22-12-31(47)51-18-22/h12,19-21,23-25,29-30,32-37,42,46,48-50H,5-11,13-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C5=CC(=O)OC5)CCC43O)C2)CC(=O)C1OC1CC(=O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-19-36(56-33-16-28(45)37(20(2)53-33)57-34-14-26(43)35(48)29(17-42)55-34)27(44)15-32(52-19)54-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(46)39(4)40(49,9-10-41(24,39)50)22-12-31(47)51-18-22/h12,19-21,23-25,29-30,32-37,42,46,48-50H,5-11,13-18H2,1-4H3/t19?,20?,21?,23?,24?,25?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:56][CH:33]2[CH2:16][C:28](=[O:45])[CH:37]([O:57][CH:34]3[CH2:14][C:26](=[O:43])[CH:35]([OH:48])[CH:29]([CH2:17][OH:42])[O:55]3)[CH:20]([CH3:2])[O:53]2)[C:27](=[O:44])[CH2:15][CH:32]([O:54][CH:23]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:24]4[CH:25]3[CH2:13][CH:30]([OH:46])[C:39]3([CH3:4])[C:40]([C:22]5=[CH:12][C:31](=[O:47])[O:51][CH2:18]5)([OH:49])[CH2:9][CH2:10][C:41]43[OH:50])[CH2:11]2)[O:52]1 |
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