| Properties | Image |
|---|
| MNX_ID | MNXM105111 |
 |
| reference | chebi:70612 |
| formula | C24H28O5 |
| global charge | 0 |
| mol weight | 396.483 |
| InChIKey | HIQLOIOGTRDMIW-NKXAJQEDSA-N |
| InChI | InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20+,22-,24+/m1/s1 |
| SMILES | CC1=CC(=O)[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COC1=CC=C2C=CC(=O)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20+,22-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[CH:11][C:18](=[O:25])[C@@H:22]2[C:23]([CH3:2])([CH3:3])[C@@H:20]([OH:26])[CH2:9][CH2:10][C@@:24]2([CH3:4])[C@@H:17]1[CH2:13][O:28][C:16]1=[CH:12][C:19]2=[C:15]([CH:5]=[CH:7]1)[CH:6]=[CH:8][C:21](=[O:27])[O:29]2 |
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