| Properties | Image |
|---|
| MNX_ID | MNXM1171490 |
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| reference | envipathM:...649c24987fc5 |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | VYMZWDSFHVLUBQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-5-24(31)16-8-12(25)6-7-22(16,3)14-10-17(27)23(4)13(11(2)21(29)30)9-15(26)19(23)18(14)20(24)28/h11-20,25-28,31H,5-10H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1(O)C(O)C2C(CC(O)C3(C)C(C(C)C(=O)[O-])CC(O)C23)C2(C)CCC(O)CC21 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-5-24(31)16-8-12(25)6-7-22(16,3)14-10-17(27)23(4)13(11(2)21(29)30)9-15(26)19(23)18(14)20(24)28/h11-20,25-28,31H,5-10H2,1-4H3,(H,29,30)/t11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,22?,23?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:24]1([OH:31])[CH:16]2[CH2:8][CH:12]([OH:25])[CH2:6][CH2:7][C:22]2([CH3:3])[CH:14]2[CH2:10][CH:17]([OH:27])[C:23]3([CH3:4])[CH:13]([CH:11]([CH3:2])[C:21](=[O:29])[OH:30])[CH2:9][CH:15]([OH:26])[CH:19]3[CH:18]2[CH:20]1[OH:28] |
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