| Properties | Image |
|---|
| MNX_ID | MNXM1182761 |
 |
| reference | envipathM:...18c232abfc4b |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | HELMCXWCNQRVCY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)24(42)11-32(53-17)57-37-19(3)55-33(13-26(37)44)58-36-18(2)54-31(12-25(36)43)56-21-9-28(46)38(4)23-10-29(47)39(5)34(20-8-30(48)52-16-20)27(45)15-41(39,51)22(23)6-7-40(38,50)14-21/h8,17-19,21-23,25,27-29,31-37,43,45-47,49-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CC(O)C5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8)C(O)CC7(O)C6CCC5(O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)24(42)11-32(53-17)57-37-19(3)55-33(13-26(37)44)58-36-18(2)54-31(12-25(36)43)56-21-9-28(46)38(4)23-10-29(47)39(5)34(20-8-30(48)52-16-20)27(45)15-41(39,51)22(23)6-7-40(38,50)14-21/h8,17-19,21-23,25,27-29,31-37,43,45-47,49-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[C:24](=[O:42])[CH2:11][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:9][CH:28]([OH:46])[C:38]5([CH3:4])[CH:23]6[CH2:10][CH:29]([OH:47])[C:39]7([CH3:5])[CH:34]([C:20]8=[CH:8][C:30](=[O:48])[O:52][CH2:16]8)[CH:27]([OH:45])[CH2:15][C:41]7([OH:51])[CH:22]6[CH2:6][CH2:7][C:40]5([OH:50])[CH2:14]4)[CH2:12][CH:25]3[OH:43])[CH2:13][C:26]2=[O:44])[O:53]1 |
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