| Properties | Image |
|---|
| MNX_ID | MNXM13311 |
 |
| reference | metacycM:CPD-11460 |
| formula | C40H45O2 |
| global charge | -1 |
| mol weight | 557.798 |
| InChIKey | YIQWJSYFQYIIKG-OOJPSBAISA-M |
| InChI | InChI=1S/C40H46O2/c1-28(16-12-18-30(3)20-23-37-25-22-32(5)33(6)34(37)7)14-10-11-15-29(2)17-13-19-31(4)21-24-38-26-27-39(40(41)42)36(9)35(38)8/h10-27H,1-9H3,(H,41,42)/p-1/b11-10+,16-12+,17-13+,23-20+,24-21+,28-14+,29-15+,30-18+,31-19+ |
| SMILES | CC1=CC=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=CC=C(C(=O)[O-])C(C)=C2C)C(C)=C1C |
MNX internals
| InChI (mnx) | InChI=1/C40H46O2/c1-28(16-12-18-30(3)20-23-37-25-22-32(5)33(6)34(37)7)14-10-11-15-29(2)17-13-19-31(4)21-24-38-26-27-39(40(41)42)36(9)35(38)8/h10-27H,1-9H3,(H,41,42)/b11-10+,16-12+,17-13+,23-20+,24-21+,28-14+,29-15+,30-18+,31-19+ |
 |
| SMILES (mnx) | [CH3:1][C:28](=[CH:14]\[CH:10]=[CH:11]\[CH:15]=[C:29]([CH3:2])\[CH:17]=[CH:13]\[CH:19]=[C:31]([CH3:4])\[CH:21]=[CH:24]\[C:38]1=[C:35]([CH3:8])[C:36]([CH3:9])=[C:39]([C:40]([OH:41])=[O:42])[CH:27]=[CH:26]1)/[CH:16]=[CH:12]/[CH:18]=[C:30]([CH3:3])/[CH:20]=[CH:23]/[C:37]1=[C:34]([CH3:7])[C:33]([CH3:6])=[C:32]([CH3:5])[CH:22]=[CH:25]1 |
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