| Properties | Image |
|---|
| MNX_ID | MNXM1185510 |
 |
| reference | envipathM:...39432d9f4ca4 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | YQUDTLALMAGOKI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-35(48)25(42)13-33(52-18)56-37-20(3)54-34(15-27(37)44)57-36-19(2)53-32(14-26(36)43)55-22-10-21-6-7-23-24(38(21,4)29(45)11-22)12-30(46)39(5)28(8-9-41(23,39)50)40(49)16-31(47)51-17-40/h18-24,26,28-29,32-37,43,45,48-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(=O)C5(C)C(C7(O)COC(=O)C7)CCC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-35(48)25(42)13-33(52-18)56-37-20(3)54-34(15-27(37)44)57-36-19(2)53-32(14-26(36)43)55-22-10-21-6-7-23-24(38(21,4)29(45)11-22)12-30(46)39(5)28(8-9-41(23,39)50)40(49)16-31(47)51-17-40/h18-24,26,28-29,32-37,43,45,48-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,26?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[C:25](=[O:42])[CH2:13][CH:33]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:10][CH:21]5[CH2:6][CH2:7][CH:23]6[CH:24]([CH2:12][C:30](=[O:46])[C:39]7([CH3:5])[CH:28]([C:40]8([OH:49])[CH2:16][C:31](=[O:47])[O:51][CH2:17]8)[CH2:8][CH2:9][C:41]67[OH:50])[C:38]5([CH3:4])[CH:29]([OH:45])[CH2:11]4)[CH2:14][CH:26]3[OH:43])[CH2:15][C:27]2=[O:44])[O:52]1 |
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