| Properties | Image |
|---|
| MNX_ID | MNXM1192309 |
 |
| reference | envipathM:...46b36fcea726 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | RMDYCZHGWWPLGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-35(48)25(43)13-32(52-18)56-37-20(3)54-33(15-27(37)45)57-36-19(2)53-31(14-26(36)44)55-22-6-8-38(4)21(10-22)11-24(42)34-23(38)12-29(46)39(5)28(7-9-41(34,39)50)40(49)16-30(47)51-17-40/h18-23,25-26,28-29,31-34,36-37,43-44,46,49-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CC(=O)C6C5CC(O)C5(C)C(C7(O)COC(=O)C7)CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-35(48)25(43)13-32(52-18)56-37-20(3)54-33(15-27(37)45)57-36-19(2)53-31(14-26(36)44)55-22-6-8-38(4)21(10-22)11-24(42)34-23(38)12-29(46)39(5)28(7-9-41(34,39)50)40(49)16-30(47)51-17-40/h18-23,25-26,28-29,31-34,36-37,43-44,46,49-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,25?,26?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:48])[CH:25]([OH:43])[CH2:13][CH:32]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:31]([O:55][CH:22]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][C:24](=[O:42])[CH:34]4[CH:23]5[CH2:12][CH:29]([OH:46])[C:39]5([CH3:5])[CH:28]([C:40]6([OH:49])[CH2:16][C:30](=[O:47])[O:51][CH2:17]6)[CH2:7][CH2:9][C:41]45[OH:50])[CH2:14][CH:26]3[OH:44])[CH2:15][C:27]2=[O:45])[O:52]1 |
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