| Properties | Image |
|---|
| MNX_ID | MNXM1197390 |
 |
| reference | envipathM:...c2ed39a5361e |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | SBHWUGUEUPJFIQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-35(50)24(43)12-32(53-18)57-37-20(3)55-33(14-26(37)45)58-36-19(2)54-31(13-25(36)44)56-23-8-9-38(4)22(11-23)6-7-28-40(38,51)16-29(47)39(5)34(21(17-42)10-30(48)49)27(46)15-41(28,39)52/h18-29,31-34,36-37,42-47,51-52H,6-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C(CO)CC(=O)[O-])C(O)CC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-35(50)24(43)12-32(53-18)57-37-20(3)55-33(14-26(37)45)58-36-19(2)54-31(13-25(36)44)56-23-8-9-38(4)22(11-23)6-7-28-40(38,51)16-29(47)39(5)34(21(17-42)10-30(48)49)27(46)15-41(28,39)52/h18-29,31-34,36-37,42-47,51-52H,6-17H2,1-5H3,(H,48,49)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,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:50])[CH:24]([OH:43])[CH2:12][CH:32]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:28]6[C:40]5([OH:51])[CH2:16][CH:29]([OH:47])[C:39]5([CH3:5])[CH:34]([CH:21]([CH2:10][C:30](=[O:48])[OH:49])[CH2:17][OH:42])[CH:27]([OH:46])[CH2:15][C:41]65[OH:52])[CH2:11]4)[CH2:13][CH:25]3[OH:44])[CH2:14][CH:26]2[OH:45])[O:53]1 |
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