Structure Database (LMSD)

O O O HO O HO O H
Common Name
(-)-Euphomine A
Systematic Name
Synonyms
LM ID
LMPR0104300002
Formula
C30H42O7
Exact Mass
Calculate m/z
514.293055
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Jatrophane and cyclojatrophane diterpenoids [PR010430]

String Representations

InChiKey (Click to copy)
CUWPNVIPGKLCJJ-CYMHBGLUSA-N
InChi (Click to copy)
InChI=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,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,25?,26?,27-,28?,30+/m0/s1
SMILES (Click to copy)
[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

References

Other Databases

CHEBI ID
183565
PubChem CID
42608242

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 522.63
Topological Polar Surface Area 102.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 6.05
Molar Refractivity 143.21

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Created at
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Updated at
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