| Properties | Image |
|---|
| MNX_ID | MNXM106323 |
 |
| reference | chebi:70387 |
| formula | C21H30O5 |
| global charge | 0 |
| mol weight | 362.466 |
| InChIKey | YPVJSAYFTDREBJ-ADEJXDBKSA-N |
| InChI | InChI=1S/C21H30O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h12-15,17H,4-11H2,1-3H3/t12-,13+,14-,15+,17-,19-,20+,21-/m0/s1 |
| SMILES | CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C21H30O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h12-15,17H,4-11H2,1-3H3/t12-,13+,14-,15+,17-,19-,20+,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:12]1[C@@H:13]2[CH2:5][CH2:6][C@H:14]3[C@@:20]4([CH2:8][CH2:4][CH2:7][C@@:19]5([CH3:2])[CH2:10][O:25][C@H:17]([O:24][CH3:3])[C@H:15]54)[CH2:11][O:26][C:18](=[O:23])[C@:21]3([CH2:9]2)[C:16]1=[O:22] |
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