| Properties | Image |
|---|
| MNX_ID | MNXM104125 |
 |
| reference | chebi:65694 |
| formula | C38H62O10 |
| global charge | 0 |
| mol weight | 678.904 |
| InChIKey | YJTJWLZANYUOEB-GRYJPLGOSA-N |
| InChI | InChI=1S/C38H62O10/c1-19(15-22(40)31-34(5,6)48-31)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)47-32-30(44)29(43)28(42)23(46-32)17-45-20(2)39/h19,21-32,40-44H,9-18H2,1-8H3/t19-,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,35+,36-,37+,38+/m0/s1 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H](C)C[C@@H](O)[C@@H]4OC4(C)C)[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C38H62O10/c1-19(15-22(40)31-34(5,6)48-31)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)47-32-30(44)29(43)28(42)23(46-32)17-45-20(2)39/h19,21-32,40-44H,9-18H2,1-8H3/t19-,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,35+,36-,37+,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]([CH2:15][C@H:22]([C@H:31]1[C:34]([CH3:5])([CH3:6])[O:48]1)[OH:40])[C@@H:21]1[CH2:9][CH2:14][C@:38]23[CH2:18][C@:37]12[CH2:13][CH2:10][C@@H:24]1[C@@:35]2([CH3:7])[CH2:12][CH2:11][C@@H:26]([OH:41])[C:33]([CH3:3])([CH3:4])[C@@H:25]2[CH2:16][C@@H:27]([O:47][C@H:32]2[C@H:30]([OH:44])[C@@H:29]([OH:43])[C@H:28]([OH:42])[C@@H:23]([CH2:17][O:45][C:20]([CH3:2])=[O:39])[O:46]2)[C@:36]13[CH3:8] |
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