Structure database (LMSD)

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LM IDLMPR0104110004
Common Name(+)-makassaric acid
Systematic Name3-{[(14β)-8,13-dimethylpodocarp-12-en-14-yl]methyl}-4-hydroxybenzoic acid
Synonyms-
Exact Mass
410.2821 (neutral)    Calculate m/z:
FormulaC27H38O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Isocopalane and spongiane diterpenoids [PR010411]
PubChem CID11292790
CHEBI ID66654
InChIKeyVIOMEESUKISOEL-XDEZJFBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H38O3/c1-17-7-10-23-26(4,14-11-22-25(2,3)12-6-13-27(22,23)5)20(17)16
-19-15-18(24(29)30)8-9-21(19)28/h7-9,15,20,22-23,28H,6,10-14,16H2,1-5H3,(H,29,30
)/t20-,22+,23+,26+,27+/m1/s1
SMILESCC1([C@]2([C@](CCC1)([C@]1(CC=C(C)[C@H]([C@@]1(CC2)C)CC1C=C(C(=O)O)C=CC=1O)[H])C
)[H])C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings1Rotatable Bonds3
 van der Waals
Molecular Volume
428.49Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP6.85Molar
Refractivity
120.69