Structure Database (LMSD)

Common Name
8'-apo-beta-carotenol
Systematic Name
8'-apo-β-caroten-8'-ol
Synonyms
  • 8'-apo-beta-Carotenol
  • 8'-apo-beta-carotenol
LM ID
LMPR01070298
Formula
C30H42O
Exact Mass
Calculate m/z
418.323565
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
YKSARTKNUYWHKA-DOKBYWHISA-N
InChi (Click to copy)
InChI=1S/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
SMILES (Click to copy)
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CO)C(C)(C)CCCC=1C

Other Databases

KEGG ID
C06733
CHEBI ID
18092
PubChem CID
5280991
Carotenoid ID
CA01145

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 500.23
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.80
Molar Refractivity 139.50

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Created at
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Updated at
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