| Properties | Image |
|---|
| MNX_ID | MNXM1194365 |
 |
| reference | envipathM:...a72b3d6f759f |
| formula | C25H39O7 |
| global charge | -1 |
| mol weight | 451.58 |
| InChIKey | RVVARIOGKJYGKD-UHFFFAOYSA-M |
| InChI | InChI=1S/C25H40O7/c1-6-25(4,5)24(31)32-21-10-14(2)9-16-8-7-15(3)18(23(16)21)13-20(28)19(27)11-17(26)12-22(29)30/h7-9,14-15,17-21,23,26-28H,6,10-13H2,1-5H3,(H,29,30)/p-1 |
| SMILES | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CC(O)C(O)CC(O)CC(=O)[O-])C21 |
MNX internals
| InChI (mnx) | InChI=1/C25H40O7/c1-6-25(4,5)24(31)32-21-10-14(2)9-16-8-7-15(3)18(23(16)21)13-20(28)19(27)11-17(26)12-22(29)30/h7-9,14-15,17-21,23,26-28H,6,10-13H2,1-5H3,(H,29,30)/t14?,15?,17?,18?,19?,20?,21?,23? |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C:25]([CH3:4])([CH3:5])[C:24](=[O:31])[O:32][CH:21]1[CH2:10][CH:14]([CH3:2])[CH:9]=[C:16]2[CH:8]=[CH:7][CH:15]([CH3:3])[CH:18]([CH2:13][CH:20]([CH:19]([CH2:11][CH:17]([CH2:12][C:22](=[O:29])[OH:30])[OH:26])[OH:27])[OH:28])[CH:23]21 |
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