| Properties | Image |
|---|
| MNX_ID | MNXM146397 |
 |
| reference | chebi:77157 |
| formula | C41H70O12 |
| global charge | 0 |
| mol weight | 754.999 |
| InChIKey | YNBYFOIDLBTOMW-QHNUHGIDSA-N |
| InChI | InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1 |
| SMILES | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:41]([CH3:8])([C@H:22]1[CH2:11][CH2:16][C@:40]2([CH3:7])[C@@H:29]1[C@H:23]([OH:42])[CH2:18][C@@H:27]1[C@@:38]3([CH3:5])[CH2:15][CH2:13][C@H:28]([OH:44])[C:37]([CH3:3])([CH3:4])[C@@H:26]3[CH2:12][CH2:17][C@:39]12[CH3:6])[O:53][C@H:36]1[C@H:34]([OH:49])[C@@H:32]([OH:47])[C@H:31]([OH:46])[C@@H:25]([CH2:20][O:51][C@H:35]2[C@H:33]([OH:48])[C@@H:30]([OH:45])[C@@H:24]([OH:43])[CH2:19][O:50]2)[O:52]1 |
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