| Properties | Image |
|---|
| MNX_ID | MNXM101437 |
 |
| reference | chebi:67871 |
| formula | C27H32O5 |
| global charge | 0 |
| mol weight | 436.548 |
| InChIKey | FHFVNFYWYHLICU-NBLSRCDMSA-N |
| InChI | InChI=1S/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21-,23-,26+,27+/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](OC(=O)C3=CC=CC=C3)C[C@H]2[C@]1(C)CCC1=COC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21-,23-,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:9][CH2:12][C@:27]2([CH3:3])[C:22]([C:24](=[O:28])[OH:29])=[CH:15][C@H:21]([O:32][C:25]([C:20]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[O:30])[CH2:16][C@H:23]2[C@:26]1([CH3:2])[CH2:13][CH2:10][C:19]1=[CH:17][O:31][CH:14]=[CH:11]1 |
|