| Properties | Image |
|---|
| MNX_ID | MNXM103841 |
 |
| reference | chebi:65633 |
| formula | C41H66O14 |
| global charge | 0 |
| mol weight | 782.965 |
| InChIKey | MWAASJAPNVCCKT-JHNAHLGXSA-N |
| InChI | InChI=1S/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-33-29(25(44)19(43)16-50-33)53-32-28(47)27(46)26(45)21(15-42)51-32/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1 |
| SMILES | C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O14/c1-18-14-20-31(36(4,5)49)55-41(54-20)30(18)37(6)12-13-40-17-39(40)11-10-24(35(2,3)22(39)8-9-23(40)38(37,7)34(41)48)52-33-29(25(44)19(43)16-50-33)53-32-28(47)27(46)26(45)21(15-42)51-32/h18-34,42-49H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,37-,38-,39-,40+,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:14][C@@H:20]2[C@@H:31]([C:36]([CH3:4])([CH3:5])[OH:49])[O:55][C@:41]3([C@H:30]1[C@@:37]1([CH3:6])[CH2:12][CH2:13][C@@:40]45[CH2:17][C@@:39]46[CH2:11][CH2:10][C@H:24]([O:52][C@H:33]4[C@H:29]([O:53][C@H:32]7[C@H:28]([OH:47])[C@@H:27]([OH:46])[C@H:26]([OH:45])[C@@H:21]([CH2:15][OH:42])[O:51]7)[C@@H:25]([OH:44])[C@H:19]([OH:43])[CH2:16][O:50]4)[C:35]([CH3:2])([CH3:3])[C@@H:22]6[CH2:8][CH2:9][C@H:23]5[C@:38]1([CH3:7])[C@H:34]3[OH:48])[O:54]2 |
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