| Properties | Image |
|---|
| MNX_ID | MNXM1172707 |
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| reference | envipathM:...4f7c9d639985 |
| formula | C24H39O6 |
| global charge | -1 |
| mol weight | 423.57 |
| InChIKey | XLCUQPDXLGPADH-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O6/c1-5-13-15-10-12(25)6-8-22(15,2)14-7-9-23(3)16(18(14)19(13)27)11-17(26)20(23)24(4,30)21(28)29/h12-20,25-27,30H,5-11H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C(O)C2C(CCC3(C)C2CC(O)C3C(C)(O)C(=O)[O-])C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O6/c1-5-13-15-10-12(25)6-8-22(15,2)14-7-9-23(3)16(18(14)19(13)27)11-17(26)20(23)24(4,30)21(28)29/h12-20,25-27,30H,5-11H2,1-4H3,(H,28,29)/t12?,13?,14?,15?,16?,17?,18?,19?,20?,22?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:13]1[CH:15]2[CH2:10][CH:12]([OH:25])[CH2:6][CH2:8][C:22]2([CH3:2])[CH:14]2[CH2:7][CH2:9][C:23]3([CH3:3])[CH:16]([CH2:11][CH:17]([OH:26])[CH:20]3[C:24]([CH3:4])([C:21](=[O:28])[OH:29])[OH:30])[CH:18]2[CH:19]1[OH:27] |
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