Structure Database (LMSD)

Common Name
Perviridisinol A
Systematic Name
3β,22α-Dihydroxy-5α-cycloartane-24-ene-23-one
Synonyms
LM ID
LMST01100047
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)
VBULICPMWLGKQS-SCWKFBCUSA-N
InChi (Click to copy)
InChI=1S/C30H48O3/c1-18(2)16-21(31)25(33)19(3)20-10-12-28(7)23-9-8-22-26(4,5)24(32)11-13-29(22)17-30(23,29)15-14-27(20,28)6/h16,19-20,22-25,32-33H,8-15,17H2,1-7H3/t19-,20+,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@@](C)([H])[C@H](O)C(=O)/C=C(\C)/C)[C@@]12C

Other Databases

PubChem CID
71658234

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 486.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.89
Molar Refractivity 133.52

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