Structure Database (LMSD)

Common Name
(+)-24-Dammarene-3beta-20S-diol
Systematic Name
Synonyms
LM ID
LMPR0106080001
Formula
C30H52O2
Exact Mass
Calculate m/z
444.39673
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Dammarane triterpenoids [PR010608]

References

Reference
Breitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.

String Representations

InChiKey (Click to copy)
NLHQJXWYMZLQJY-AYHBXSNGSA-N
InChi (Click to copy)
InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(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
SMILES (Click to copy)
C1C[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

Other Databases

KEGG ID
C08621
CHEBI ID
4313
PubChem CID
441675

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 493.06
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.10
Molar Refractivity 135.32

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Updated at
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