| Properties | Image |
|---|
| MNX_ID | MNXM1178381 |
 |
| reference | envipathM:...3dfae73113ac |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | DEBNVZVZZGBYED-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-36(50)26(44)12-33(53-17)57-37-18(2)54-34(13-27(37)45)58-38-28(46)14-35(56-29(38)15-42)55-20-8-24-25(43)10-23-22(39(24,3)30(47)9-20)11-31(48)40(4)21(5-6-41(23,40)51)19-7-32(49)52-16-19/h7,17-18,20-26,28-29,31,33-38,42-44,46,48,50-51H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(=O)C4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(C5=CC(=O)OC5)CCC34O)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-36(50)26(44)12-33(53-17)57-37-18(2)54-34(13-27(37)45)58-38-28(46)14-35(56-29(38)15-42)55-20-8-24-25(43)10-23-22(39(24,3)30(47)9-20)11-31(48)40(4)21(5-6-41(23,40)51)19-7-32(49)52-16-19/h7,17-18,20-26,28-29,31,33-38,42-44,46,48,50-51H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:50])[CH:26]([OH:44])[CH2:12][CH:33]([O:57][CH:37]2[CH:18]([CH3:2])[O:54][CH:34]([O:58][CH:38]3[CH:28]([OH:46])[CH2:14][CH:35]([O:55][CH:20]4[CH2:8][CH:24]5[CH:25]([OH:43])[CH2:10][CH:23]6[CH:22]([CH2:11][CH:31]([OH:48])[C:40]7([CH3:4])[CH:21]([C:19]8=[CH:7][C:32](=[O:49])[O:52][CH2:16]8)[CH2:5][CH2:6][C:41]67[OH:51])[C:39]5([CH3:3])[C:30](=[O:47])[CH2:9]4)[O:56][CH:29]3[CH2:15][OH:42])[CH2:13][C:27]2=[O:45])[O:53]1 |
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