Structure Database (LMSD)
Common Name
Perviridisinol C
Systematic Name
24-Methylene-29-Nor-5α-cycloartane-3β,21-diol
Synonyms
LM ID
LMST01100048
Formula
Exact Mass
Calculate m/z
442.38108
Sum Composition
Status
Active
3D model of Perviridisinol C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
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
Other Databases
PubChem CID
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