| Properties | Image |
|---|
| MNX_ID | MNXM164390 |
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| reference | biggM:CE2345 |
| formula | C27H41O4 |
| global charge | -1 |
| mol weight | 429.621 |
| InChIKey | SATGKQGFUDXGAX-KFNQEEOWSA-M |
| InChI | InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/p-1/t16-,17?,20?,21?,22?,23-,24?,26+,27-/m1/s1 |
| SMILES | CC(CCC[C@@H](C)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20?,21?,22?,23-,24?,26+,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:16]([CH2:6][CH2:5][CH2:7][CH:17]([CH3:2])[C:25](=[O:30])[OH:31])[CH:20]1[CH2:8][CH2:9][CH:21]2[CH:24]3[CH:22]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C:19](=[O:28])[CH:14]=[C:18]1[CH2:15][C@H:23]3[OH:29] |
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