| Properties | Image |
|---|
| MNX_ID | MNXM729363 |
 |
| reference | biggM:CE2203 |
| formula | C27H42O4 |
| global charge | 0 |
| mol weight | 430.629 |
| InChIKey | SFOPTSUKUQDFIB-OCPIVRJWSA-N |
| InChI | InChI=1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/t18-,21-,22-,23-,24+,25-,26-,27-/m1/s1 |
| SMILES | C=C1CC[C@@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)C[C@@H]3C[C@@](C)(O)[C@H](O)O3)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8?,20-9?/t18-,21-,22-,23-,24+,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]1[CH2:7][CH2:10][C@@H:21]([OH:28])[CH2:15][C:20]1=[CH:9][CH:8]=[C:19]1[CH2:6][CH2:5][CH2:13][C@:26]2([CH3:3])[C@@H:23]([C@H:18]([CH3:2])[CH2:14][C@@H:22]3[CH2:16][C@@:27]([CH3:4])([OH:30])[C@H:25]([OH:29])[O:31]3)[CH2:11][CH2:12][C@@H:24]12 |
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