| Properties | Image |
|---|
| MNX_ID | MNXM1182888 |
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| reference | envipathM:...a1e500b7052c |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | VFNHUAMWGOOWOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-36(49)26(43)13-34(52-18)57-38-28(45)15-35(55-29(38)16-42)56-37-19(2)53-33(14-27(37)44)54-22-10-21-5-6-24-25(39(21,3)30(46)11-22)12-31(47)40(4)23(7-8-41(24,40)50)20-9-32(48)51-17-20/h9,16,18-19,21-25,28-31,33-38,45-47,49-50H,5-8,10-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CC(O)C5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C=O)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-36(49)26(43)13-34(52-18)57-38-28(45)15-35(55-29(38)16-42)56-37-19(2)53-33(14-27(37)44)54-22-10-21-5-6-24-25(39(21,3)30(46)11-22)12-31(47)40(4)23(7-8-41(24,40)50)20-9-32(48)51-17-20/h9,16,18-19,21-25,28-31,33-38,45-47,49-50H,5-8,10-15,17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[C:26](=[O:43])[CH2:13][CH:34]([O:57][CH:38]2[CH:28]([OH:45])[CH2:15][CH:35]([O:56][CH:37]3[CH:19]([CH3:2])[O:53][CH:33]([O:54][CH:22]4[CH2:10][CH:21]5[CH2:5][CH2:6][CH:24]6[CH:25]([CH2:12][CH:31]([OH:47])[C:40]7([CH3:4])[CH:23]([C:20]8=[CH:9][C:32](=[O:48])[O:51][CH2:17]8)[CH2:7][CH2:8][C:41]67[OH:50])[C:39]5([CH3:3])[CH:30]([OH:46])[CH2:11]4)[CH2:14][C:27]3=[O:44])[O:55][CH:29]2[CH:16]=[O:42])[O:52]1 |
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