Structure database (LMSD)

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LM IDLMPR0106080001
Common Name(+)-24-Dammarene-3β-20S-diol
Systematic Name-
Synonyms-
Exact Mass
444.3967 (neutral)    Calculate m/z:
FormulaC30H52O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Dammarane triterpenoids [PR010608]
PubChem CID441675
InChIKeyNLHQJXWYMZLQJY-AYHBXSNGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-1
5-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,
23+,24-,25+,27+,28-,29-,30-/m1/s1
SMILESC1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]([H])([C@@](O)(C)CC/C=C(\C)/C)CC[C@@]4(C)
[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
StatusActive
ReferencesBreitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.
Calculated physicochemical properties (?):
 Heavy Atoms32Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
493.06Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.10Molar
Refractivity
135.32