| Properties | Image |
|---|
| MNX_ID | MNXM119731 |
 |
| reference | hmdb:HMDB0039143 |
| formula | C40H52O3 |
| global charge | 0 |
| mol weight | 580.853 |
| InChIKey | GFRPPAKBDXYCAE-YMDWAWDZSA-N |
| InChI | InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,27,34,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15-,29-16+,30-19+,31-20- |
| 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/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CC(O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,27,34,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15-,29-16+,30-19+,31-20-/t34? |
 |
| SMILES (mnx) | [CH3:1][C:28](=[CH:15]/[CH:11]=[CH:12]/[CH:16]=[C:29]([CH3:2])/[CH:18]=[CH:14]/[CH:20]=[C:31]([CH3:4])\[CH:22]=[CH:24]\[C:36]1=[C:33]([CH3:6])[C:38](=[O:43])[C:37]([OH:42])=[CH:27][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:30]([CH3:3])/[CH:21]=[CH:23]/[C:35]1=[C:32]([CH3:5])[CH2:25][CH:34]([OH:41])[CH2:26][C:39]1([CH3:7])[CH3:8] |
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