Structure database (LMSD)

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LM IDLMPR0104300002
Common Name(-)-Euphomine A
Systematic Name-
Synonyms-
Exact Mass
514.2931 (neutral)    Calculate m/z:
FormulaC30H42O7
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Jatrophane and cyclojatrophane diterpenoids [PR010430]
PubChem CID42608242
InChIKeyCUWPNVIPGKLCJJ-CYMHBGLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H42O7/c1-18-13-14-29(6,7)26(35-21(4)31)16-25(33)19(2)15-24-27(37-23-
11-9-8-10-12-23)20(3)17-30(24,34)28(18)36-22(5)32/h8-15,18,20,24-28,33-34H,16-17
H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,25?,26?,27-,28?,30+/m0/s1
SMILES[C@@]12([H])C=C(C)C(O)CC(OC(=O)C)C(C)(C)C=C[C@H](C)C(OC(=O)C)[C@@]1(O)C[C@H](C)[
C@@H]2OC1C=CC=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings3Aromatic Rings1Rotatable Bonds6
 van der Waals
Molecular Volume
522.63Topological Polar
Surface Area
102.29Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
7
 logP6.05Molar
Refractivity
143.21