| Properties | Image |
|---|
| MNX_ID | MNXM14562 |
 |
| reference | metacycM:CPD-7951 |
| formula | C40H52O2 |
| global charge | 0 |
| mol weight | 564.854 |
| InChIKey | JQSLJBXSPJMQQS-AYQHOUQYSA-N |
| InChI | InChI=1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+ |
| SMILES | CC(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=C\C1=C(C)C(=O)C(O)CC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+/t38? |
 |
| SMILES (mnx) | [CH3:1]/[C:30]([CH3:2])=[CH:17]/[CH:13]=[CH:20]\[C:33]([CH3:5])=[CH:23]\[CH:15]=[CH:25]\[C:34]([CH3:6])=[CH:24]\[CH:14]=[CH:21]\[C:31]([CH3:3])=[CH:18]\[CH:11]=[CH:12]\[CH:19]=[C:32]([CH3:4])\[CH:22]=[CH:16]\[CH:26]=[C:35]([CH3:7])\[CH:27]=[CH:28]\[C:37]1=[C:36]([CH3:8])[C:39](=[O:42])[CH:38]([OH:41])[CH2:29][C:40]1([CH3:9])[CH3:10] |
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