Structure Database (LMSD)

Common Name
Sarcosterol
Systematic Name
23R,24R-dimethylcholest-5,17(20)-dien-3β-ol
Synonyms
LM ID
LMST01031058
Formula
C29H48O
Exact Mass
Calculate m/z
412.370515
Sum Composition
ST 29:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sarcophyton glaucum (#70919)
Anthozoa (#6101)
Marine Sterols,
Nat Prod Rep, 1991

String Representations

InChiKey (Click to copy)
WSMAULFAXOAWSD-PZWGOJMFSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18-19,21,23-24,26-27,30H,9-17H2,1-7H3/b25-20+/t19-,21-,23+,24+,26+,27+,28+,29-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)/C(=C(\C)/C[C@@H](C)[C@H](C)C(C)C)/CC[C@@]21[H])[H]

Other Databases

CHEBI ID
173011
PubChem CID
3036774

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.23
Molar Refractivity 128.70

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Updated at
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