| Properties | Image |
|---|
| MNX_ID | MNXM1171989 |
 |
| reference | envipathM:...caacba70efe6 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | IXUCEALDBGJGAX-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-24(41(52,17-42)16-33(49)50)6-7-27(43)23-11-29(45)26-10-22(8-9-40(26,5)25(23)12-28(18)44)56-34-14-31(47)38(20(3)54-34)58-36-15-32(48)39(21(4)55-36)57-35-13-30(46)37(51)19(2)53-35/h18-26,29-32,34-39,42,45-48,51-52H,6-17H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C(=O)CCC(C(O)(CO)CC(=O)[O-])C(C)C(=O)CC45)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-24(41(52,17-42)16-33(49)50)6-7-27(43)23-11-29(45)26-10-22(8-9-40(26,5)25(23)12-28(18)44)56-34-14-31(47)38(20(3)54-34)58-36-15-32(48)39(21(4)55-36)57-35-13-30(46)37(51)19(2)53-35/h18-26,29-32,34-39,42,45-48,51-52H,6-17H2,1-5H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:24]([C:41]([CH2:16][C:33](=[O:49])[OH:50])([CH2:17][OH:42])[OH:52])[CH2:6][CH2:7][C:27](=[O:43])[CH:23]2[CH2:11][CH:29]([OH:45])[CH:26]3[CH2:10][CH:22]([O:56][CH:34]4[CH2:14][CH:31]([OH:47])[CH:38]([O:58][CH:36]5[CH2:15][CH:32]([OH:48])[CH:39]([O:57][CH:35]6[CH2:13][CH:30]([OH:46])[CH:37]([OH:51])[CH:19]([CH3:2])[O:53]6)[CH:21]([CH3:4])[O:55]5)[CH:20]([CH3:3])[O:54]4)[CH2:8][CH2:9][C:40]3([CH3:5])[CH:25]2[CH2:12][C:28]1=[O:44] |
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