| Properties | Image |
|---|
| MNX_ID | MNXM1184378 |
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| reference | envipathM:...4e759df53e8c |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | XKVDKXJSZOPQQL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-17-36(49)26(43)13-33(52-17)56-38-19(3)54-34(15-28(38)45)57-37-18(2)53-32(14-27(37)44)55-22-9-21-10-25(42)35-24(39(21,4)29(46)11-22)12-30(47)40(5)23(6-7-41(35,40)50)20-8-31(48)51-16-20/h8,17-19,21-25,27,29,32-38,42,44,46,49-50H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4C5CC(=O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-17-36(49)26(43)13-33(52-17)56-38-19(3)54-34(15-28(38)45)57-37-18(2)53-32(14-27(37)44)55-22-9-21-10-25(42)35-24(39(21,4)29(46)11-22)12-30(47)40(5)23(6-7-41(35,40)50)20-8-31(48)51-16-20/h8,17-19,21-25,27,29,32-38,42,44,46,49-50H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,27?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[C:26](=[O:43])[CH2:13][CH:33]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:9][CH:21]5[CH2:10][CH:25]([OH:42])[CH:35]6[CH:24]([CH2:12][C:30](=[O:47])[C:40]7([CH3:5])[CH:23]([C:20]8=[CH:8][C:31](=[O:48])[O:51][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:50])[C:39]5([CH3:4])[CH:29]([OH:46])[CH2:11]4)[CH2:14][CH:27]3[OH:44])[CH2:15][C:28]2=[O:45])[O:52]1 |
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