Structure Database (LMSD)

Common Name
24-northornasterol A
Systematic Name
24-nor-3β,6α,20S-trihydroxy-5α-cholest-9(11)-en-23-one
Synonyms
  • 24-nor-23-oxol-5alpha-cholest-9(11)-en-3beta,6alpha,20S-triol
LM ID
LMST01010320
Status
Active
Exact Mass
Calculate m/z
418.30831
Formula
C26H42O4
Abbrev
ST 26:2;O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
YYSZRBSSGDXVTR-OWTHIMASSA-N
InChi (Click to copy)
InChI=1S/C26H42O4/c1-15(2)22(29)14-26(5,30)23-7-6-18-17-13-21(28)20-12-16(27)8-10-24(20,3)19(17)9-11-25(18,23)4/h9,15-18,20-21,23,27-28,30H,6-8,10-14H2,1-5H3/t16-,17-,18-,20+,21-,23-,24+,25-,26-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])([C@](O)(C)CC(=O)C(C)C)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@@]2([H])C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hacelia attenuata (#232928)
Asteroidea (#7588)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

CHEBI ID
169017
PubChem CID
52931332

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 438.80
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.12
Molar Refractivity 119.21

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Updated at
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