| Properties | Image |
|---|
| MNX_ID | MNXM149068 |
 |
| reference | metacycM:CPD-16946 |
| formula | C24H36O6 |
| global charge | 0 |
| mol weight | 420.546 |
| InChIKey | URCZXARNJBJYET-AEEZTXMNSA-N |
| InChI | InChI=1S/C24H36O6/c1-5-24(3,4)23(28)30-20-12-16(25)10-15-7-6-14(2)19(22(15)20)9-8-18-11-17(26)13-21(27)29-18/h6-7,10,14,16-20,22,25-26H,5,8-9,11-13H2,1-4H3/t14-,16-,17+,18+,19-,20-,22-/m0/s1 |
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C24H36O6/c1-5-24(3,4)23(28)30-20-12-16(25)10-15-7-6-14(2)19(22(15)20)9-8-18-11-17(26)13-21(27)29-18/h6-7,10,14,16-20,22,25-26H,5,8-9,11-13H2,1-4H3/t14-,16-,17+,18+,19-,20-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:24]([CH3:3])([CH3:4])[C:23](=[O:28])[O:30][C@H:20]1[CH2:12][C@@H:16]([OH:25])[CH:10]=[C:15]2[CH:7]=[CH:6][C@H:14]([CH3:2])[C@H:19]([CH2:9][CH2:8][C@@H:18]3[CH2:11][C@@H:17]([OH:26])[CH2:13][C:21](=[O:27])[O:29]3)[C@H:22]21 |
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