| Properties | Image |
|---|
| MNX_ID | MNXM1193134 |
 |
| reference | envipathM:...b79ad2a84408 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | VTOMINYBAGWISC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-33(48)23(43)13-31(53-18)59-35-25(45)15-32(56-26(35)17-42)58-34-19(2)54-30(14-24(34)44)55-21-7-8-37(3)20(11-21)5-6-27-40(51)10-9-39(50,22-12-29(47)57-36(22)49)38(40,4)28(46)16-41(27,37)52/h12,18-21,23-28,30-36,42-46,48-52H,5-11,13-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(O)(C7=CC(=O)OC7O)CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-33(48)23(43)13-31(53-18)59-35-25(45)15-32(56-26(35)17-42)58-34-19(2)54-30(14-24(34)44)55-21-7-8-37(3)20(11-21)5-6-27-40(51)10-9-39(50,22-12-29(47)57-36(22)49)38(40,4)28(46)16-41(27,37)52/h12,18-21,23-28,30-36,42-46,48-52H,5-11,13-17H2,1-4H3/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[CH:23]([OH:43])[CH2:13][CH:31]([O:59][CH:35]2[CH:25]([OH:45])[CH2:15][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:55][CH:21]4[CH2:7][CH2:8][C:37]5([CH3:3])[CH:20]([CH2:5][CH2:6][CH:27]6[C:40]7([OH:51])[CH2:10][CH2:9][C:39]([C:22]8=[CH:12][C:29](=[O:47])[O:57][CH:36]8[OH:49])([OH:50])[C:38]7([CH3:4])[CH:28]([OH:46])[CH2:16][C:41]65[OH:52])[CH2:11]4)[CH2:14][CH:24]3[OH:44])[O:56][CH:26]2[CH2:17][OH:42])[O:53]1 |
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