| Properties | Image |
|---|
| MNX_ID | MNXM37080 |
 |
| reference | lipidmapsM:LMPR01070075 |
| formula | C40H52O4 |
| global charge | 0 |
| mol weight | 596.852 |
| InChIKey | RRFDBXIHLUIYPE-MQHCDVGBSA-N |
| InChI | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-,38-/m0/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#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:30](/[CH3:4])[C:22]#[C:24][C:34]1=[C:32]([CH3:6])[C@H:38]([OH:44])[C@@H:36]([OH:42])[CH2:26][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29](\[CH3:3])[C:21]#[C:23][C:33]1=[C:31]([CH3:5])[C@H:37]([OH:43])[C@@H:35]([OH:41])[CH2:25][C:39]1([CH3:7])[CH3:8] |
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