| Properties | Image |
|---|
| MNX_ID | MNXM103051 |
 |
| reference | chebi:69027 |
| formula | C26H34O7 |
| global charge | 0 |
| mol weight | 458.551 |
| InChIKey | HBZLILHFZMWEGE-QFRJCEMRSA-N |
| InChI | InChI=1S/C26H34O7/c1-14(2)16-9-12-24(6)17(22(16,4)11-10-18(27)28)13-23(5)15(3)26(24,21(31)33-8)20(30)25(7,32)19(23)29/h9,17,32H,1,3,10-13H2,2,4-8H3,(H,27,28)/t17-,22+,23+,24-,25-,26-/m0/s1 |
| SMILES | C=C(C)C1=CC[C@@]2(C)[C@@H](C[C@]3(C)C(=C)[C@@]2(C(=O)OC)C(=O)[C@@](C)(O)C3=O)[C@]1(C)CCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H34O7/c1-14(2)16-9-12-24(6)17(22(16,4)11-10-18(27)28)13-23(5)15(3)26(24,21(31)33-8)20(30)25(7,32)19(23)29/h9,17,32H,1,3,10-13H2,2,4-8H3,(H,27,28)/t17-,22+,23+,24-,25-,26-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:14]([CH3:2])[C:16]1=[CH:9][CH2:12][C@@:24]2([CH3:6])[C@@H:17]([CH2:13][C@:23]3([CH3:5])[C:15](=[CH2:3])[C@@:26]2([C:21](=[O:31])[O:33][CH3:8])[C:20](=[O:30])[C@@:25]([CH3:7])([OH:32])[C:19]3=[O:29])[C@:22]1([CH3:4])[CH2:11][CH2:10][C:18](=[O:27])[OH:28] |
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