Structure Database (LMSD)

OH
Common Name
ent-9-Aristen-8alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0103270002
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Aristolane sesquiterpenoids [PR010327]

String Representations

InChiKey (Click to copy)
YFLAOARQOANJAY-PLNRXTSHSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,11-13,16H,5-7H2,1-4H3/t9-,11+,12-,13+,15+/m0/s1
SMILES (Click to copy)
C1CC2=C[C@@H](O)[C@@H]3C(C)(C)[C@@H]3[C@]2(C)[C@@H](C)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aristolochia heterophylla (#431268)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2000
Pubmed ID: 11072895

Other Databases

PubChem CID
100984562

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 237.13
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.67
Molar Refractivity 66.48

Admin

Created at
-
Updated at
13th Jan 2022