| Properties | Image |
|---|
| MNX_ID | MNXM1192534 |
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| reference | envipathM:...97538cf12790 |
| formula | C40H56O4 |
| global charge | 0 |
| mol weight | 600.884 |
| InChIKey | CQENHLYDKZDZBM-OGXYAFMNSA-N |
| InChI | InChI=1S/C40H56O4/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/h11-13,15,17,19-24,28,35-36,41-42H,14,16,18,25-26H2,1-10H3/b12-11+,17-13+,23-21+,24-22+,27-15+,29-19+,30-20+ |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/CC(C)CC/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C40H56O4/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/h11-13,15,17,19-24,28,35-36,41-42H,14,16,18,25-26H2,1-10H3/b12-11+,17-13+,23-21+,24-22+,27-15+,29-19+,30-20+/t28?,35?,36? |
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| SMILES (mnx) | [CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH2:16][CH:28]([CH3:2])[CH2:18][CH2:14]/[CH:20]=[C:30]([CH3:4])/[CH:22]=[CH:24]/[C:34]1=[C:32]([CH3:6])[C:38](=[O:44])[CH:36]([OH:42])[CH2:26][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29]([CH3:3])/[CH:21]=[CH:23]/[C:33]1=[C:31]([CH3:5])[C:37](=[O:43])[CH:35]([OH:41])[CH2:25][C:39]1([CH3:7])[CH3:8] |
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