Structure Database (LMSD)

HO H H H HO HO H
Common Name
Galaxaurol E
Systematic Name
Cycloart-24-en-3β,23α,29-triol
Synonyms
LM ID
LMST01100038
Formula
C30H50O3
Exact Mass
Calculate m/z
458.375995
Sum Composition
ST 30:2;O3
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)
PMZMFRIIUSBOCB-UBMCIHALSA-N
InChi (Click to copy)
InChI=1S/C30H50O3/c1-19(2)15-21(32)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-31)25(33)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20-25,31-33H,7-14,16-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1C[C@@]23C[C@]42CC[C@H](O)[C@@](C)(CO)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@](C)([H])C[C@@H](O)/C=C(\C)/C)[C@@]12C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Galaxaura (#2645085)
Florideophyceae (#2806)
Cycloartanes from the red alga Galaxaura sp.,
J Asian Nat Prod Res, 2005
Pubmed ID: 15621603

Other Databases

PubChem CID
163112309

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 489.49
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 6.97
Molar Refractivity 135.04

Admin

Created at
18th Jul 2021
Updated at
18th Jul 2021