| Properties | Image |
|---|
| MNX_ID | MNXM1198213 |
 |
| reference | envipathM:...cc7760660cfd |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | DLQXFEAEYYIKJF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-30(46)17-41(50)31(40(19,49)11-9-26(42)23-12-32(47)51-18-23)7-6-24-13-25(8-10-39(24,41)5)55-33-15-28(44)37(21(3)53-33)57-35-16-29(45)38(22(4)54-35)56-34-14-27(43)36(48)20(2)52-34/h12,19-22,24-25,27,29,31,33-38,43,45,48-50H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C(O)(CCC(=O)C5=CC(=O)OC5)C(C)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/c1-19-30(46)17-41(50)31(40(19,49)11-9-26(42)23-12-32(47)51-18-23)7-6-24-13-25(8-10-39(24,41)5)55-33-15-28(44)37(21(3)53-33)57-35-16-29(45)38(22(4)54-35)56-34-14-27(43)36(48)20(2)52-34/h12,19-22,24-25,27,29,31,33-38,43,45,48-50H,6-11,13-18H2,1-5H3/t19?,20?,21?,22?,24?,25?,27?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[C:30](=[O:46])[CH2:17][C:41]2([OH:50])[CH:31]([CH2:7][CH2:6][CH:24]3[CH2:13][CH:25]([O:55][CH:33]4[CH2:15][C:28](=[O:44])[CH:37]([O:57][CH:35]5[CH2:16][CH:29]([OH:45])[CH:38]([O:56][CH:34]6[CH2:14][CH:27]([OH:43])[CH:36]([OH:48])[CH:20]([CH3:2])[O:52]6)[CH:22]([CH3:4])[O:54]5)[CH:21]([CH3:3])[O:53]4)[CH2:8][CH2:10][C:39]32[CH3:5])[C:40]1([CH2:11][CH2:9][C:26]([C:23]1=[CH:12][C:32](=[O:47])[O:51][CH2:18]1)=[O:42])[OH:49] |
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