| Properties | Image |
|---|
| MNX_ID | MNXM1197045 |
 |
| reference | envipathM:...9d5da241c3ac |
| formula | C23H33O8 |
| global charge | -1 |
| mol weight | 437.509 |
| InChIKey | AYXBDYCGXRQRBY-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H34O8/c1-20-7-8-31-19(28)9-13(20)3-4-14-15(20)10-17(25)21(2)16(5-6-23(14,21)30)22(29,12-24)11-18(26)27/h12-17,25,29-30H,3-11H2,1-2H3,(H,26,27)/p-1 |
| SMILES | CC12CCOC(=O)CC1CCC1C2CC(O)C2(C)C(C(O)(C=O)CC(=O)[O-])CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H34O8/c1-20-7-8-31-19(28)9-13(20)3-4-14-15(20)10-17(25)21(2)16(5-6-23(14,21)30)22(29,12-24)11-18(26)27/h12-17,25,29-30H,3-11H2,1-2H3,(H,26,27)/t13?,14?,15?,16?,17?,20?,21?,22?,23? |
 |
| SMILES (mnx) | [CH3:1][C:20]12[CH2:7][CH2:8][O:31][C:19](=[O:28])[CH2:9][CH:13]1[CH2:3][CH2:4][CH:14]1[CH:15]2[CH2:10][CH:17]([OH:25])[C:21]2([CH3:2])[CH:16]([C:22]([CH2:11][C:18](=[O:26])[OH:27])([CH:12]=[O:24])[OH:29])[CH2:5][CH2:6][C:23]12[OH:30] |
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