| Properties | Image |
|---|
| MNX_ID | MNXM1181169 |
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| reference | envipathM:...ed31613b650d |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | HEORFFHDEHINQS-LYRMIJDFSA-N |
| InChI | InChI=1S/C40H54O5/c1-27(17-13-18-29(3)20-21-32-30(4)36(43)34(41)25-38(32,6)7)15-11-12-16-28(2)19-14-23-40(10,45)24-22-33-31(5)37(44)35(42)26-39(33,8)9/h11-22,24,34-35,41-42,45H,23,25-26H2,1-10H3/b12-11+,17-13+,19-14+,21-20+,24-22+,27-15+,28-16+,29-18+ |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CC(C)(O)/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/C40H54O5/c1-27(17-13-18-29(3)20-21-32-30(4)36(43)34(41)25-38(32,6)7)15-11-12-16-28(2)19-14-23-40(10,45)24-22-33-31(5)37(44)35(42)26-39(33,8)9/h11-22,24,34-35,41-42,45H,23,25-26H2,1-10H3/b12-11+,17-13+,19-14+,21-20+,24-22+,27-15+,28-16+,29-18+/t34?,35?,40? |
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| SMILES (mnx) | [CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:19]=[CH:14]\[CH2:23][C:40]([CH3:10])(/[CH:24]=[CH:22]/[C:33]1=[C:31]([CH3:5])[C:37](=[O:44])[CH:35]([OH:42])[CH2:26][C:39]1([CH3:8])[CH3:9])[OH:45])/[CH:17]=[CH:13]/[CH:18]=[C:29]([CH3:3])/[CH:20]=[CH:21]/[C:32]1=[C:30]([CH3:4])[C:36](=[O:43])[CH:34]([OH:41])[CH2:25][C:38]1([CH3:6])[CH3:7] |
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