Structure Database (LMSD)

Common Name
(+)-Serradiol
Systematic Name
(+)-13-atisene-16β,17-diol
Synonyms
LM ID
LMPR0104150006
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Active
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]
Villanovane, atisane, trachylobane and helvifulvane diterpenoids [PR010415]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sideritis (#155231)
Magnoliopsida (#3398)
Four new diterpenes from Sideritis serrata,
Phytochemistry, 1975

String Representations

InChiKey (Click to copy)
YLPLMBSVCFKOSP-ICHMTLFLSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-17(2)7-4-8-18(3)15(17)6-10-19-9-5-14(11-16(18)19)20(22,12-19)13-21/h5,9,14-16,21-22H,4,6-8,10-13H2,1-3H3/t14-,15+,16-,18+,19+,20+/m0/s1
SMILES (Click to copy)
C1CC[C@@]2(C)[C@]3([H])C[C@@H]4C=C[C@]3(C[C@@]4(O)CO)CC[C@]2([H])C1(C)C

Other Databases

PubChem CID
101277423

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 316.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.49
Molar Refractivity 89.29

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Created at
-
Updated at
7th Apr 2022