Structure Database (LMSD)

Common Name
Aphidicol-16-ene
Systematic Name
Synonyms
LM ID
LMPR0104160001
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
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]
Aphidicolane diterpenoids [PR010416]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Neocamarosporium betae (#1979465)
Dothideomycetes (#147541)
Diterpenoids.,
Nat Prod Rep, 2003
Pubmed ID: 12636084

String Representations

InChiKey (Click to copy)
GNNRCBBKCVNPSC-ORZNMBHWSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16+,17+,19+,20+/m1/s1
SMILES (Click to copy)
C1CC[C@]2(C)[C@]34C[C@H](C(=C)CC3)C[C@]4([H])CC[C@@]2([H])C1(C)C

Other Databases

PubChem CID
15907363

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.48
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.98
Molar Refractivity 85.48

Admin

Created at
-
Updated at
23rd Jul 2021