| Properties | Image |
|---|
| MNX_ID | MNXM1170653 |
 |
| reference | envipathM:...981f8dfb3ff8 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | DEIWFKGGEQWXNV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-36(49)26(44)13-32(52-18)56-37-19(2)53-33(14-27(37)45)57-38-28(46)15-34(55-29(38)16-42)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h9,16,18-19,21-26,28-30,32-38,43-44,46-47,49-50H,5-8,10-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C5=CC(=O)OC5)CCC34O)OC2C=O)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(49)26(44)13-32(52-18)56-37-19(2)53-33(14-27(37)45)57-38-28(46)15-34(55-29(38)16-42)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h9,16,18-19,21-26,28-30,32-38,43-44,46-47,49-50H,5-8,10-15,17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[CH:26]([OH:44])[CH2:13][CH:32]([O:56][CH:37]2[CH:19]([CH3:2])[O:53][CH:33]([O:57][CH:38]3[CH:28]([OH:46])[CH2:15][CH:34]([O:54][CH:22]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:21]([CH2:10]4)[CH2:11][CH:25]([OH:43])[CH:35]4[CH:24]5[CH2:12][CH:30]([OH:47])[C:40]5([CH3:4])[CH:23]([C:20]6=[CH:9][C:31](=[O:48])[O:51][CH2:17]6)[CH2:6][CH2:8][C:41]45[OH:50])[O:55][CH:29]3[CH:16]=[O:42])[CH2:14][C:27]2=[O:45])[O:52]1 |
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