| Properties | Image |
|---|
| MNX_ID | MNXM1175807 |
 |
| reference | envipathM:...8a28bcde15a4 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | NQCTYSFMHRAWPJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-36(49)27(44)13-33(52-18)56-37-19(2)53-34(14-28(37)45)57-38-29(46)15-35(55-30(38)16-42)54-21-5-7-39(3)23-12-31(47)40(4)22(20-9-32(48)51-17-20)6-8-41(40,50)24(23)11-26(43)25(39)10-21/h9,18-19,21-27,29-31,33-35,37-38,42-44,46-47,50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3CO)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(49)27(44)13-33(52-18)56-37-19(2)53-34(14-28(37)45)57-38-29(46)15-35(55-30(38)16-42)54-21-5-7-39(3)23-12-31(47)40(4)22(20-9-32(48)51-17-20)6-8-41(40,50)24(23)11-26(43)25(39)10-21/h9,18-19,21-27,29-31,33-35,37-38,42-44,46-47,50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,33?,34?,35?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:36](=[O:49])[CH:27]([OH:44])[CH2:13][CH:33]([O:56][CH:37]2[CH:19]([CH3:2])[O:53][CH:34]([O:57][CH:38]3[CH:29]([OH:46])[CH2:15][CH:35]([O:54][CH:21]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:23]6[CH2:12][CH:31]([OH:47])[C:40]7([CH3:4])[CH:22]([C:20]8=[CH:9][C:32](=[O:48])[O:51][CH2:17]8)[CH2:6][CH2:8][C:41]7([OH:50])[CH:24]6[CH2:11][CH:26]([OH:43])[CH:25]5[CH2:10]4)[O:55][CH:30]3[CH2:16][OH:42])[CH2:14][C:28]2=[O:45])[O:52]1 |
|