Structure Database (LMSD)

Common Name
Perviridisinol B
Systematic Name
21,23R-epoxy-3β,22S-dihydroxycycloart-24-ene
Synonyms
LM ID
LMST01100049
Formula
C30H48O3
Exact Mass
Calculate m/z
456.360345
Sum Composition
ST 30:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
XCEVATPMSVPKCQ-XFQKVXLTSA-N
InChi (Click to copy)
InChI=1S/C30H48O3/c1-18(2)15-21-25(32)19(16-33-21)20-9-11-28(6)23-8-7-22-26(3,4)24(31)10-12-29(22)17-30(23,29)14-13-27(20,28)5/h15,19-25,31-32H,7-14,16-17H2,1-6H3/t19-,20+,21+,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1
SMILES (Click to copy)
C1C[C@@]23C[C@]42CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@]3([H])[C@H](O)[C@@H](/C=C(\C)/C)OC3)[C@@]12C

Other Databases

PubChem CID
71658235

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 6
Aromatic Rings
Rotatable Bonds 2
Van der Waals Molecular Volume 477.13
Topological Polar Surface Area 51.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.27
Molar Refractivity 133.58

Admin

Created at
18th Dec 2021
Updated at
17th Mar 2022