| Properties | Image |
|---|
| MNX_ID | MNXM1188204 |
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| reference | envipathM:...342925f6c865 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | AMIULBXFQGAEMN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-23-7-9-38(3)22(12-23)5-6-29-40(49)10-8-24(21-11-31(47)51-18-21)39(40,4)30(46)16-41(29,38)50/h19-24,26-30,32-37,42,44-46,48-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C(C5COC(=O)C5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-23-7-9-38(3)22(12-23)5-6-29-40(49)10-8-24(21-11-31(47)51-18-21)39(40,4)30(46)16-41(29,38)50/h19-24,26-30,32-37,42,44-46,48-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:56][CH:33]2[CH2:15][CH:27]([OH:45])[CH:37]([O:57][CH:34]3[CH2:13][C:25](=[O:43])[CH:35]([OH:48])[CH:28]([CH2:17][OH:42])[O:55]3)[CH:20]([CH3:2])[O:53]2)[CH:26]([OH:44])[CH2:14][CH:32]([O:54][CH:23]2[CH2:7][CH2:9][C:38]3([CH3:3])[CH:22]([CH2:5][CH2:6][CH:29]4[C:40]5([OH:49])[CH2:10][CH2:8][CH:24]([CH:21]6[CH2:11][C:31](=[O:47])[O:51][CH2:18]6)[C:39]5([CH3:4])[CH:30]([OH:46])[CH2:16][C:41]43[OH:50])[CH2:12]2)[O:52]1 |
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