| Properties | Image |
|---|
| MNX_ID | MNXM1176587 |
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| reference | envipathM:...768dbe4007bb |
| formula | C23H35O8 |
| global charge | -1 |
| mol weight | 439.525 |
| InChIKey | DBBYWVPBLUAUDM-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H36O8/c1-20-7-5-13(25)9-12(20)3-4-14-15(20)10-17(26)21(2)16(6-8-23(14,21)31)22(30,11-24)18(27)19(28)29/h12,14-18,24,26-27,30-31H,3-11H2,1-2H3,(H,28,29)/p-1 |
| SMILES | CC12CCC(=O)CC1CCC1C2CC(O)C2(C)C(C(O)(CO)C(O)C(=O)[O-])CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H36O8/c1-20-7-5-13(25)9-12(20)3-4-14-15(20)10-17(26)21(2)16(6-8-23(14,21)31)22(30,11-24)18(27)19(28)29/h12,14-18,24,26-27,30-31H,3-11H2,1-2H3,(H,28,29)/t12?,14?,15?,16?,17?,18?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:20]12[CH2:7][CH2:5][C:13](=[O:25])[CH2:9][CH:12]1[CH2:3][CH2:4][CH:14]1[CH:15]2[CH2:10][CH:17]([OH:26])[C:21]2([CH3:2])[CH:16]([C:22]([CH2:11][OH:24])([CH:18]([C:19](=[O:28])[OH:29])[OH:27])[OH:30])[CH2:6][CH2:8][C:23]12[OH:31] |
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