| Properties | Image |
|---|
| MNX_ID | MNXM103812 |
 |
| reference | chebi:65628 |
| formula | C38H62O13 |
| global charge | 0 |
| mol weight | 726.901 |
| InChIKey | NQDDCCOUDFVXKO-DAVJFRSBSA-N |
| InChI | InChI=1S/C38H62O13/c1-18(2)6-9-25(40)19(3)38(47)28(51-34-32(45)29(42)26(41)17-48-34)15-24-22-8-7-20-14-21(10-12-36(20,4)23(22)11-13-37(24,38)5)49-35-33(46)31(44)30(43)27(16-39)50-35/h7,18-19,21-24,26-35,39,41-47H,6,8-17H2,1-5H3/t19-,21-,22+,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+/m0/s1 |
| SMILES | CC(C)CCC(=O)[C@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C38H62O13/c1-18(2)6-9-25(40)19(3)38(47)28(51-34-32(45)29(42)26(41)17-48-34)15-24-22-8-7-20-14-21(10-12-36(20,4)23(22)11-13-37(24,38)5)49-35-33(46)31(44)30(43)27(16-39)50-35/h7,18-19,21-24,26-35,39,41-47H,6,8-17H2,1-5H3/t19-,21-,22+,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:6][CH2:9][C:25]([C@H:19]([CH3:3])[C@@:38]1([OH:47])[C@@H:28]([O:51][C@H:34]2[C@H:32]([OH:45])[C@@H:29]([OH:42])[C@@H:26]([OH:41])[CH2:17][O:48]2)[CH2:15][C@H:24]2[C@@H:22]3[CH2:8][CH:7]=[C:20]4[CH2:14][C@@H:21]([O:49][C@H:35]5[C@H:33]([OH:46])[C@@H:31]([OH:44])[C@H:30]([OH:43])[C@@H:27]([CH2:16][OH:39])[O:50]5)[CH2:10][CH2:12][C@:36]4([CH3:4])[C@H:23]3[CH2:11][CH2:13][C@@:37]21[CH3:5])=[O:40] |
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