| Properties | Image |
|---|
| MNX_ID | MNXM45215 |
 |
| reference | chebi:47837 |
| formula | C27H40O5 |
| global charge | 0 |
| mol weight | 444.612 |
| InChIKey | WMYIVSWWSRCZFA-DKRDSXHXSA-N |
| InChI | InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21?,22-,23+,24+,26-,27?/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC4CC(C)(O)C(=O)O4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21?,22-,23+,24+,26-,27?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:12][CH:21]1[CH2:15][C:27]([CH3:4])([OH:31])[C:25](=[O:30])[O:32]1)[C@H:22]1[CH2:9][CH2:10][C@H:23]2/[C:18](=[CH:7]/[CH:8]=[C:19]3/[CH2:13][C@@H:20]([OH:28])[CH2:14][C@H:24]([OH:29])[C:17]3=[CH2:2])[CH2:6][CH2:5][CH2:11][C@:26]12[CH3:3] |
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