| Properties | Image |
|---|
| MNX_ID | MNXM1181472 |
 |
| reference | envipathM:...58bae18026f0 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | CUQJEZXUMUCMCU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-17-35(48)25(42)13-32(51-17)56-37-19(3)53-33(15-27(37)44)57-36-18(2)52-31(14-26(36)43)54-21-8-9-39(4)20(10-21)6-7-23-24(39)12-29(46)40(5)34(28(45)16-41(23,40)50)22-11-30(47)55-38(22)49/h11,17-21,23-25,27,29,31-38,42,44,46,48-50H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5O)C(=O)CC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-17-35(48)25(42)13-32(51-17)56-37-19(3)53-33(15-27(37)44)57-36-18(2)52-31(14-26(36)43)54-21-8-9-39(4)20(10-21)6-7-23-24(39)12-29(46)40(5)34(28(45)16-41(23,40)50)22-11-30(47)55-38(22)49/h11,17-21,23-25,27,29,31-38,42,44,46,48-50H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,24?,25?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:48])[CH:25]([OH:42])[CH2:13][CH:32]([O:56][CH:37]2[CH:19]([CH3:3])[O:53][CH:33]([O:57][CH:36]3[CH:18]([CH3:2])[O:52][CH:31]([O:54][CH:21]4[CH2:8][CH2:9][C:39]5([CH3:4])[CH:20]([CH2:6][CH2:7][CH:23]6[CH:24]5[CH2:12][CH:29]([OH:46])[C:40]5([CH3:5])[CH:34]([C:22]7=[CH:11][C:30](=[O:47])[O:55][CH:38]7[OH:49])[C:28](=[O:45])[CH2:16][C:41]65[OH:50])[CH2:10]4)[CH2:14][C:26]3=[O:43])[CH2:15][CH:27]2[OH:44])[O:51]1 |
|