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
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

PubChem CID

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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Created at
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Updated at
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