| Properties | Image |
|---|
| MNX_ID | MNXM1184342 |
 |
| reference | envipathM:...8655c14ffde3 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | DQACFSFLWFXVOM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-35(48)27(44)14-32(52-19)56-36-20(2)53-33(15-28(36)45)57-37-29(46)16-34(55-30(37)17-42)54-24-8-10-39(4)23(13-24)6-7-26(38(39)49)41(50)11-9-25(40(41,5)21(3)43)22-12-31(47)51-18-22/h7,12,19-20,23-25,27-30,32-37,42,44-46,48,50H,6,8-11,13-18H2,1-5H3 |
| SMILES | CC(=O)C1(C)C(C2=CC(=O)OC2)CCC1(O)C1=CCC2CC(OC3CC(O)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(CO)O3)CCC2(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-35(48)27(44)14-32(52-19)56-36-20(2)53-33(15-28(36)45)57-37-29(46)16-34(55-30(37)17-42)54-24-8-10-39(4)23(13-24)6-7-26(38(39)49)41(50)11-9-25(40(41,5)21(3)43)22-12-31(47)51-18-22/h7,12,19-20,23-25,27-30,32-37,42,44-46,48,50H,6,8-11,13-18H2,1-5H3/t19?,20?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:27]([OH:44])[CH2:14][CH:32]([O:56][CH:36]2[CH:20]([CH3:2])[O:53][CH:33]([O:57][CH:37]3[CH:29]([OH:46])[CH2:16][CH:34]([O:54][CH:24]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:23]([CH2:6][CH:7]=[C:26]([C:41]6([OH:50])[CH2:11][CH2:9][CH:25]([C:22]7=[CH:12][C:31](=[O:47])[O:51][CH2:18]7)[C:40]6([CH3:5])[C:21]([CH3:3])=[O:43])[C:38]5=[O:49])[CH2:13]4)[O:55][CH:30]3[CH2:17][OH:42])[CH2:15][CH:28]2[OH:45])[O:52]1 |
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