| Properties | Image |
|---|
| MNX_ID | MNXM165522 |
 |
| reference | chebi:189050 |
| formula | C21H32O4 |
| global charge | 0 |
| mol weight | 348.483 |
| InChIKey | DCMCEXCRUWBAFV-LDGASQGZSA-N |
| InChI | InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-19,22,24-25H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-,21-/m0/s1 |
| SMILES | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-19,22,24-25H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:20]12[CH2:8][CH2:7][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:16]([C@@H:18]([CH2:11][OH:22])[OH:25])[C@@:21]3([CH3:2])[CH2:10][C@H:17]([OH:24])[C@@H:19]12 |
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