Structure Database (LMSD)

HO H H H OH H
Common Name
Perviridisinol C
Systematic Name
24-Methylene-29-Nor-5α-cycloartane-3β,21-diol
Synonyms
LM ID
LMST01100048
Formula
C30H50O2
Exact Mass
Calculate m/z
442.38108
Sum Composition
ST 30:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

String Representations

InChiKey (Click to copy)
UIAGZIIGWMBFBA-RODLHURISA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-19(2)20(3)7-8-22(17-31)24-11-13-28(6)26-10-9-23-21(4)25(32)12-14-29(23)18-30(26,29)16-15-27(24,28)5/h19,21-26,31-32H,3,7-18H2,1-2,4-6H3/t21-,22-,23-,24+,25-,26-,27+,28-,29+,30-/m0/s1
SMILES (Click to copy)
C1C[C@@]23C[C@]42CC[C@H](O)[C@@H](C)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@](CO)([H])CCC(=C)C(C)C)[C@@]12C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aglaia perviridis (#306512)
Magnoliopsida (#3398)
Cycloartanes from the red alga Galaxaura sp.,
J Asian Nat Prod Res, 2005
Pubmed ID: 15621603

Other Databases

PubChem CID
71658236

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 480.70
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.57
Molar Refractivity 133.06

Admin

Created at
18th Dec 2021
Updated at
18th Dec 2021