| Properties | Image |
|---|
| MNX_ID | MNXM1192143 |
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| reference | envipathM:...d06172b851ef |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | QDLOERYODUALJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-36(48)28(43)15-34(52-19)56-38-21(3)54-35(17-30(38)45)57-37-20(2)53-33(16-29(37)44)55-24-8-10-39(4)22(12-24)6-7-25-26(39)14-31(46)40(5,49)41(50,11-9-27(25)42)23-13-32(47)51-18-23/h13,19-22,24-26,28-29,33-38,43-44,48-50H,6-12,14-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C(=O)CCC(O)(C6=CC(=O)OC6)C(C)(O)C(=O)CC54)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-36(48)28(43)15-34(52-19)56-38-21(3)54-35(17-30(38)45)57-37-20(2)53-33(16-29(37)44)55-24-8-10-39(4)22(12-24)6-7-25-26(39)14-31(46)40(5,49)41(50,11-9-27(25)42)23-13-32(47)51-18-23/h13,19-22,24-26,28-29,33-38,43-44,48-50H,6-12,14-18H2,1-5H3/t19?,20?,21?,22?,24?,25?,26?,28?,29?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:48])[CH:28]([OH:43])[CH2:15][CH:34]([O:56][CH:38]2[CH:21]([CH3:3])[O:54][CH:35]([O:57][CH:37]3[CH:20]([CH3:2])[O:53][CH:33]([O:55][CH:24]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:14][C:31](=[O:46])[C:40]([CH3:5])([OH:49])[C:41]([C:23]5=[CH:13][C:32](=[O:47])[O:51][CH2:18]5)([OH:50])[CH2:11][CH2:9][C:27]6=[O:42])[CH2:12]4)[CH2:16][CH:29]3[OH:44])[CH2:17][C:30]2=[O:45])[O:52]1 |
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