| Properties | Image |
|---|
| MNX_ID | MNXM1181617 |
 |
| reference | envipathM:...8bb19ead1dea |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | BAWVMDFZFXVPAT-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)55-23-6-8-38(4)22(11-23)12-30(46)41(50)28(38)16-29(45)39(5)24(7-9-40(39,41)49)21-10-31(47)51-17-21/h10,18-20,22-28,30,32-34,36-37,42-44,46,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5CC(=O)C5(C)C(C6=CC(=O)OC6)CCC54O)OC3C)OC2C)CC(O)C1=O |
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)55-23-6-8-38(4)22(11-23)12-30(46)41(50)28(38)16-29(45)39(5)24(7-9-40(39,41)49)21-10-31(47)51-17-21/h10,18-20,22-28,30,32-34,36-37,42-44,46,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,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: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:23]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][CH:30]([OH:46])[C:41]4([OH:50])[CH:28]5[CH2:16][C:29](=[O:45])[C:39]5([CH3:5])[CH:24]([C:21]6=[CH:10][C:31](=[O:47])[O:51][CH2:17]6)[CH2:7][CH2:9][C:40]54[OH:49])[CH2:14][CH:26]3[OH:43])[CH2:15][CH:27]2[OH:44])[O:52]1 |
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