| Properties | Image |
|---|
| MNX_ID | MNXM18316 |
 |
| reference | metacycM:CPD-9748 |
| formula | C26H31O5 |
| global charge | -1 |
| mol weight | 423.529 |
| InChIKey | LTDXHSVIDXPYBK-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H32O5/c1-13(2)8-10-17-15(5)9-11-18-23(29)20-16(12-27)22(28)24(31-7)19(14(3)4)21(20)25(30)26(17,18)6/h8-9,12,14,17-18,28H,10-11H2,1-7H3/p-1 |
| SMILES | COC1=C([O-])C(C=O)=C2C(=O)C3CC=C(C)C(CC=C(C)C)C3(C)C(=O)C2=C1C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C26H32O5/c1-13(2)8-10-17-15(5)9-11-18-23(29)20-16(12-27)22(28)24(31-7)19(14(3)4)21(20)25(30)26(17,18)6/h8-9,12,14,17-18,28H,10-11H2,1-7H3/t17?,18?,26? |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:8][CH2:10][CH:17]1[C:15]([CH3:5])=[CH:9][CH2:11][CH:18]2[C:23](=[O:29])[C:20]3=[C:16]([CH:12]=[O:27])[C:22]([OH:28])=[C:24]([O:31][CH3:7])[C:19]([CH:14]([CH3:3])[CH3:4])=[C:21]3[C:25](=[O:30])[C:26]12[CH3:6] |
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