| Properties | Image |
|---|
| MNX_ID | MNXM11322 |
 |
| reference | chebi:80464 |
| formula | C40H54O3 |
| global charge | 0 |
| mol weight | 582.869 |
| InChIKey | GJFBHWJTMDTLNX-UWCSZFODSA-N |
| InChI | InChI=1S/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-39(7,8)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)37(41)29-38(42)40(36,9)10/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t38-/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)C(C)(C)[C@H](O)CC1=O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-39(7,8)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)37(41)29-38(42)40(36,9)10/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t38-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:31]([CH3:2])\[CH:20]=[CH:15]\[CH:24]=[C:34]([CH3:5])\[CH:26]=[CH:27]\[C:36]1=[C:35]([CH3:6])[C:37](=[O:41])[CH2:29][C@@H:38]([OH:42])[C:40]1([CH3:9])[CH3:10])/[CH:19]=[CH:13]/[CH:21]=[C:32]([CH3:3])/[CH:22]=[CH:14]/[CH:23]=[C:33]([CH3:4])/[CH:25]=[CH:16]/[CH2:28][C:39]([CH3:7])([CH3:8])[OH:43] |
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