| Properties | Image |
|---|
| MNX_ID | MNXM103473 |
 |
| reference | chebi:70303 |
| formula | C29H42O6 |
| global charge | 0 |
| mol weight | 486.649 |
| InChIKey | FPSUTNLGRMMQOR-HZDNNQLKSA-N |
| InChI | InChI=1S/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,22,31,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,22+,27+,28-,29-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)C(C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,22,31,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,22+,27+,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH2:7][CH2:8][C@@H:16]([CH3:2])[C@H:19]1[CH2:9][CH2:12][C@@:29]2([OH:35])[C:25]3=[C:24]([C:23](=[O:32])[CH2:14][C@:28]12[CH3:6])[C@@:27]1([CH3:5])[CH2:11][CH2:10][C:21](=[O:30])[C@@H:18]([CH3:4])[C@@H:20]1[CH2:13][C@@H:22]3[OH:31])[CH:17]([CH3:3])[C:26](=[O:33])[OH:34] |
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