| Properties | Image |
|---|
| MNX_ID | MNXM18315 |
 |
| reference | metacycM:CPD-9747 |
| formula | C26H31O5 |
| global charge | -1 |
| mol weight | 423.529 |
| InChIKey | YAHBSDIPFPMSAO-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-18-23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(30)26(18,5)12-16/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3/p-1 |
| SMILES | COC1=C([O-])C(C=O)=C2C(=O)C3CC=C(CCC=C(C)C)CC3(C)C(=O)C2=C1C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C26H32O5/c1-14(2)8-7-9-16-10-11-18-23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(30)26(18,5)12-16/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3/t18?,26? |
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| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:8][CH2:7][CH2:9][C:16]1=[CH:10][CH2:11][CH:18]2[C:23](=[O:29])[C:20]3=[C:17]([CH:13]=[O:27])[C:22]([OH:28])=[C:24]([O:31][CH3:6])[C:19]([CH:15]([CH3:3])[CH3:4])=[C:21]3[C:25](=[O:30])[C:26]2([CH3:5])[CH2:12]1 |
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