| Properties | Image |
|---|
| MNX_ID | MNXM1181601 |
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| reference | envipathM:...ca413747a0fd |
| formula | C41H66O16 |
| global charge | 0 |
| mol weight | 814.963 |
| InChIKey | BSQQXXNGVJOSAG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O16/c1-19-36(56-33-15-28(45)37(20(2)53-33)57-34-13-26(43)35(48)29(17-42)55-34)27(44)14-32(52-19)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h19-30,32-37,42-46,48-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O16/c1-19-36(56-33-15-28(45)37(20(2)53-33)57-34-13-26(43)35(48)29(17-42)55-34)27(44)14-32(52-19)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h19-30,32-37,42-46,48-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,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:28]([OH:45])[CH:37]([O:57][CH:34]3[CH2:13][CH:26]([OH:43])[CH:35]([OH:48])[CH:29]([CH2:17][OH:42])[O:55]3)[CH:20]([CH3:2])[O:53]2)[CH:27]([OH:44])[CH2:14][CH:32]([O:54][CH:22]2[CH2:5][CH2:8][C:38]3([CH3:3])[CH:25]4[CH2:12][CH:30]([OH:46])[C:39]5([CH3:4])[CH:23]([CH:21]6[CH2:11][C:31](=[O:47])[O:51][CH2:18]6)[CH2:7][CH2:10][C:41]5([OH:50])[CH:24]4[CH2:6][CH2:9][C:40]3([OH:49])[CH2:16]2)[O:52]1 |
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