Structure Database (LMSD)

Common Name
(+-)-Trihydroxy-decipiadiene
Systematic Name
Synonyms
LM ID
LMPR0104490001
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Decipiane diterpenoids [PR010449]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eremophila decipiens (#2652670)
Magnoliopsida (#3398)
Photochemical synthesis of decipiane diterpenes,
J Org Chem, 1984

String Representations

InChiKey (Click to copy)
XWUIGIQNNFPWFK-WEHVBUNISA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-13(10-21)4-3-9-20(12-23)17-8-5-14(2)16-7-6-15(11-22)19(20)18(16)17/h4,6,14,16-19,21-23H,3,5,7-12H2,1-2H3/b13-4+/t14-,16-,17+,18-,19-,20?/m1/s1
SMILES (Click to copy)
C1[C@@]([H])(C)[C@@]2([H])CC=C(CO)[C@@]3([H])C(CO)(CC/C=C(/CO)\C)[C@]([H])([C@@]23[H])C1

Other Databases

PubChem CID
42608265

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 338.57
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.77
Molar Refractivity 93.21

Admin

Created at
-
Updated at
30th Sep 2021