| Properties | Image |
|---|
| MNX_ID | MNXM1172375 |
 |
| reference | envipathM:...4a524e2c337d |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | IRBRJJKHHXKQSO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-35(49)24(43)11-32(53-18)58-37-26(45)13-33(56-28(37)16-42)57-36-19(2)54-31(12-25(36)44)55-21-5-7-38(3)23-10-29(47)39(4)22(20-9-30(48)52-17-20)6-8-41(39,51)34(23)27(46)15-40(38,50)14-21/h9,18-19,21-23,25-29,31-37,42,44-47,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8)CCC7(O)C6C(O)CC5(O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(49)24(43)11-32(53-18)58-37-26(45)13-33(56-28(37)16-42)57-36-19(2)54-31(12-25(36)44)55-21-5-7-38(3)23-10-29(47)39(4)22(20-9-30(48)52-17-20)6-8-41(39,51)34(23)27(46)15-40(38,50)14-21/h9,18-19,21-23,25-29,31-37,42,44-47,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[C:24](=[O:43])[CH2:11][CH:32]([O:58][CH:37]2[CH:26]([OH:45])[CH2:13][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:54][CH:31]([O:55][CH:21]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:23]6[CH2:10][CH:29]([OH:47])[C:39]7([CH3:4])[CH:22]([C:20]8=[CH:9][C:30](=[O:48])[O:52][CH2:17]8)[CH2:6][CH2:8][C:41]7([OH:51])[CH:34]6[CH:27]([OH:46])[CH2:15][C:40]5([OH:50])[CH2:14]4)[CH2:12][CH:25]3[OH:44])[O:56][CH:28]2[CH2:16][OH:42])[O:53]1 |
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