| Properties | Image |
|---|
| MNX_ID | MNXM103556 |
 |
| reference | chebi:67957 |
| formula | C33H48O8 |
| global charge | 0 |
| mol weight | 572.739 |
| InChIKey | IIKQVONZJJQKFU-LMANASGISA-N |
| InChI | InChI=1S/C33H48O8/c1-8-10-11-12-13-14-15-16-27(36)40-28-22(4)32(6,18-17-21(3)9-2)26-20-24(35)19-25-30(38-7)41-31(39-23(5)34)33(25,26)29(28)37/h9,13-16,19,22,24,26,28-31,35,37H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,24+,26+,28-,29+,30+,31+,32-,33-/m1/s1 |
| SMILES | C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC)O[C@@H]3OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C33H48O8/c1-8-10-11-12-13-14-15-16-27(36)40-28-22(4)32(6,18-17-21(3)9-2)26-20-24(35)19-25-30(38-7)41-31(39-23(5)34)33(25,26)29(28)37/h9,13-16,19,22,24,26,28-31,35,37H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,24+,26+,28-,29+,30+,31+,32-,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]/[CH:15]=[CH:16]\[C:27](=[O:36])[O:40][C@@H:28]1[C@@H:22]([CH3:4])[C@@:32]([CH3:6])([CH2:18][CH2:17][C:21](=[CH2:3])[CH:9]=[CH2:2])[C@@H:26]2[CH2:20][C@@H:24]([OH:35])[CH:19]=[C:25]3[C@@H:30]([O:38][CH3:7])[O:41][C@H:31]([O:39][C:23]([CH3:5])=[O:34])[C@:33]32[C@H:29]1[OH:37] |
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