| Properties | Image |
|---|
| MNX_ID | MNXM101356 |
 |
| reference | chebi:68037 |
| formula | C28H42O5 |
| global charge | 0 |
| mol weight | 458.639 |
| InChIKey | UZTVCYOWDJHTOU-QLFGBWBRSA-N |
| InChI | InChI=1S/C28H42O5/c1-16(29)32-21-15-20-26(4)13-8-12-25(2,3)18(26)11-14-27(20,5)19-10-9-17-22(28(19,21)6)24(31-7)33-23(17)30/h9,18-22,24H,8,10-15H2,1-7H3/t18-,19-,20+,21+,22+,24+,26-,27-,28+/m0/s1 |
| SMILES | CO[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](OC(C)=O)[C@]3(C)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C28H42O5/c1-16(29)32-21-15-20-26(4)13-8-12-25(2,3)18(26)11-14-27(20,5)19-10-9-17-22(28(19,21)6)24(31-7)33-23(17)30/h9,18-22,24H,8,10-15H2,1-7H3/t18-,19-,20+,21+,22+,24+,26-,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[O:29])[O:32][C@@H:21]1[CH2:15][C@@H:20]2[C@@:26]3([CH3:4])[CH2:13][CH2:8][CH2:12][C:25]([CH3:2])([CH3:3])[C@@H:18]3[CH2:11][CH2:14][C@@:27]2([CH3:5])[C@@H:19]2[CH2:10][CH:9]=[C:17]3[C@H:22]([C@H:24]([O:31][CH3:7])[O:33][C:23]3=[O:30])[C@:28]21[CH3:6] |
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