| Properties | Image |
|---|
| MNX_ID | MNXM1192488 |
 |
| reference | envipathM:...d2bc6a31e9ec |
| formula | C24H39O6 |
| global charge | -1 |
| mol weight | 423.57 |
| InChIKey | NLSPHXZKHQOMJQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O6/c1-4-14-17-11-13(26)5-8-22(17,2)15-6-9-23(3)16(19(15)20(14)27)7-10-24(23,30)18(12-25)21(28)29/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/p-1 |
| SMILES | CCC1C(O)C2C(CCC3(C)C2CCC3(O)C(CO)C(=O)[O-])C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O6/c1-4-14-17-11-13(26)5-8-22(17,2)15-6-9-23(3)16(19(15)20(14)27)7-10-24(23,30)18(12-25)21(28)29/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13?,14?,15?,16?,17?,18?,19?,20?,22?,23?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH:14]1[CH:17]2[CH2:11][CH:13]([OH:26])[CH2:5][CH2:8][C:22]2([CH3:2])[CH:15]2[CH2:6][CH2:9][C:23]3([CH3:3])[CH:16]([CH2:7][CH2:10][C:24]3([CH:18]([CH2:12][OH:25])[C:21](=[O:28])[OH:29])[OH:30])[CH:19]2[CH:20]1[OH:27] |
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