Structure Database (LMSD)

Common Name
(+-)-Trihydroxy-decipiadiene
Systematic Name
Synonyms
LM ID
LMPR0104490001
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Reference
Org. Chem., 1984, 49 (22), 4252-4258.

Taxonomy Information

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

Other Databases

PubChem CID

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

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Created at
-
Updated at
30th Sep 2021