Structure Database (LMSD)

Common Name
Nitidane
Systematic Name
(5Z,10Z,13E)-2,6,10,14,18-pentamethyl-7-(3-methylbut-2-en-1-yl)-9-(3-methylenepent-4-en-1-yl)nonadeca-2,5,10,13,17-pentaene
Synonyms
LM ID
LMPR01000001
Formula
C35H56
Exact Mass
Calculate m/z
476.438201
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Heteromurus nitidus (#254095)
Collembola (#30001)
Nitidane: An Irregular Prenylated Diterpene from the Cuticle of the Springtail <i>Heteromurus nitidus</i>.,
J Nat Prod, 2024
Pubmed ID: 38668715

String Representations

InChiKey (Click to copy)
SVHHRBIBXJGFNJ-BFNURIPYSA-N
InChi (Click to copy)
InChI=1S/C35H56/c1-12-30(8)23-25-35(33(11)21-15-19-31(9)18-13-16-27(2)3)26-34(24-22-29(6)7)32(10)20-14-17-28(4)5/h12,16-17,19-22,34-35H,1,8,13-15,18,23-26H2,2-7,9-11H3/b31-19+,32-20-,33-21-
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/C/C=C(\C(CCC(=C)C=C)CC(C/C=C(\C)/C)/C(=C\C/C=C(/C)\C)/C)/C

Calculated Physicochemical Properties

Heavy Atoms 35
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 592.94
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 11.82
Molar Refractivity 162.82

Admin

Created at
15th Apr 2025
Updated at
15th Apr 2025