| Properties | Image |
|---|
| MNX_ID | MNXM101697 |
 |
| reference | chebi:70244 |
| formula | C37H58O10 |
| global charge | 0 |
| mol weight | 662.861 |
| InChIKey | IHEJMZHKJYHVFF-JUKRZFGDSA-N |
| InChI | InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:15][C@H:21]([C@H:30]1[C:33]([CH3:5])([CH3:6])[O:47]1)[O:45][C:19]([CH3:2])=[O:38])[C@H:25]1[C:27](=[O:41])[C@H:29]([OH:43])[C@@:35]2([CH3:8])[C@@H:23]3[CH2:10][CH2:9][C@H:22]4[C:32]([CH3:3])([CH3:4])[C@@H:24]([O:46][C@H:31]5[C@H:28]([OH:42])[C@@H:26]([OH:40])[C@H:20]([OH:39])[CH2:16][O:44]5)[CH2:11][CH2:12][C@@:36]45[CH2:17][C@@:37]35[CH2:14][CH2:13][C@:34]12[CH3:7] |
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