| Properties | Image |
|---|
| MNX_ID | MNXM1182641 |
 |
| reference | envipathM:...730fc967f117 |
| formula | C41H61O16 |
| global charge | -1 |
| mol weight | 809.923 |
| InChIKey | PEBGKKBLJGMJDE-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O16/c1-19-36(50)27(44)14-34(52-19)57-38-29(46)16-35(55-30(38)18-43)56-37-20(2)53-33(15-28(37)45)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(47)40(4)24(8-10-41(25,40)51)21(17-42)11-32(48)49/h11,18-20,22-26,28-31,33-38,42,45-47,50-51H,5-10,12-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C=O)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-36(50)27(44)14-34(52-19)57-38-29(46)16-35(55-30(38)18-43)56-37-20(2)53-33(15-28(37)45)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(47)40(4)24(8-10-41(25,40)51)21(17-42)11-32(48)49/h11,18-20,22-26,28-31,33-38,42,45-47,50-51H,5-10,12-17H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:50])[C:27](=[O:44])[CH2:14][CH:34]([O:57][CH:38]2[CH:29]([OH:46])[CH2:16][CH:35]([O:56][CH:37]3[CH:20]([CH3:2])[O:53][CH:33]([O:54][CH:23]4[CH2:7][CH2:9][C:39]5([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]6[CH:26]5[CH2:13][CH:31]([OH:47])[C:40]5([CH3:4])[CH:24]([C:21](=[CH:11][C:32](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:8][CH2:10][C:41]65[OH:51])[CH2:12]4)[CH2:15][CH:28]3[OH:45])[O:55][CH:30]2[CH:18]=[O:43])[O:52]1 |
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