| Properties | Image |
|---|
| MNX_ID | MNXM1185053 |
 |
| reference | envipathM:...4ba859f3c1ea |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | CXHLTGKOQCSTHK-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-4-15-17-9-14(28)7-8-25(17,2)23-19(30)11-26(3)16(13(12-27)5-6-20(31)32)10-18(29)22(26)21(23)24(15)33/h12-19,21-24,28-30,33H,4-11H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C3C(O)CC(C(C=O)CCC(=O)[O-])C3(C)CC(O)C2C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-4-15-17-9-14(28)7-8-25(17,2)23-19(30)11-26(3)16(13(12-27)5-6-20(31)32)10-18(29)22(26)21(23)24(15)33/h12-19,21-24,28-30,33H,4-11H2,1-3H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:15]1[CH:17]2[CH2:9][CH:14]([OH:28])[CH2:7][CH2:8][C:25]2([CH3:2])[CH:23]2[CH:19]([OH:30])[CH2:11][C:26]3([CH3:3])[CH:16]([CH:13]([CH2:5][CH2:6][C:20](=[O:31])[OH:32])[CH:12]=[O:27])[CH2:10][CH:18]([OH:29])[CH:22]3[CH:21]2[CH:24]1[OH:33] |
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