| Properties | Image |
|---|
| MNX_ID | MNXM1173058 |
 |
| reference | envipathM:...a7761faea5ff |
| formula | C21H30O4 |
| global charge | 0 |
| mol weight | 346.467 |
| InChIKey | ZAPCYXFCDUASGC-QXVHMHJJSA-N |
| InChI | InChI=1S/C21H30O4/c1-13(22)15-6-7-16-17-5-4-14-12-25-18(23)8-9-20(14,3)21(17,24)11-10-19(15,16)2/h12,15-17,24H,4-11H2,1-3H3/t15?,16?,17?,19-,20+,21?/m1/s1 |
| SMILES | CC(=O)C1CCC2C3CCC4=COC(=O)CC[C@]4(C)C3(O)CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C21H30O4/c1-13(22)15-6-7-16-17-5-4-14-12-25-18(23)8-9-20(14,3)21(17,24)11-10-19(15,16)2/h12,15-17,24H,4-11H2,1-3H3/t15?,16?,17?,19-,20+,21?/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:13]([CH:15]1[CH2:6][CH2:7][CH:16]2[CH:17]3[CH2:5][CH2:4][C:14]4=[CH:12][O:25][C:18](=[O:23])[CH2:8][CH2:9][C@:20]4([CH3:3])[C:21]3([OH:24])[CH2:11][CH2:10][C@:19]12[CH3:2])=[O:22] |
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