| Properties | Image |
|---|
| MNX_ID | MNXM107522 |
 |
| reference | chebi:69587 |
| formula | C28H42O4 |
| global charge | 0 |
| mol weight | 442.64 |
| InChIKey | VIDISXWZNJLDBI-IDEZQVRVSA-N |
| InChI | InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1 |
| SMILES | C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]1[CH2:8][CH2:13][C@:28]2([C:23](=[O:30])[OH:31])[CH2:15][CH2:14][C@:25]3([CH3:3])[C:18](=[CH:6][CH2:7][C@@H:20]4[C@@:24]5([CH3:2])[CH2:11][CH2:10][C@H:22]([OH:29])[C@:27]([CH3:5])([OH:32])[C@@H:21]5[CH2:9][CH2:12][C@:26]43[CH3:4])[C@@H:19]2[CH2:16]1 |
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