| Properties | Image |
|---|
| MNX_ID | MNXM165076 |
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| reference | metacycM:CPD-11448 |
| formula | C40H56O2 |
| global charge | 0 |
| mol weight | 568.886 |
| InChIKey | OMJAWWPQNWDDBQ-RCMIEKQSSA-N |
| InChI | InChI=1S/C40H56O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,38,41-42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+ |
| 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/C(O)C(C)(C)O)C(C)(C)CCC1 |
MNX internals
| InChI (mnx) | InChI=1/C40H56O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,38,41-42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+/t38? |
 |
| SMILES (mnx) | [CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:23]=[C:34]([CH3:4])\[CH:26]=[CH:28]\[C:37]1=[C:36]([CH3:6])[CH2:25][CH2:16][CH2:30][C:39]1([CH3:7])[CH3:8])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:22]=[CH:15]/[CH:24]=[C:35]([CH3:5])/[CH:27]=[CH:29]/[CH:38]([C:40]([CH3:9])([CH3:10])[OH:42])[OH:41] |
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