Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 06:36:46 UTC
Update Date2022-08-31 06:39:55 UTC
Metabolite IDMMDBc0015837
Metabolite Identification
Common NameAnthcolorin F
DescriptionAnthcolorin F belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Anthcolorin F is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC33H49NO4
Average Mass523.758
Monoisotopic Mass523.366159062
IUPAC Name(3S)-3-{[(2S,4aR,5S,6S,8aS)-5-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-hydroxy-5,8a-dimethyl-1-methylidene-decahydronaphthalen-2-yl]methyl}-1-(2-methylbut-3-en-2-yl)-2,3-dihydro-1H-indol-2-one
Traditional Name(3S)-3-{[(2S,4aR,5S,6S,8aS)-5-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-hydroxy-5,8a-dimethyl-1-methylidene-hexahydro-2H-naphthalen-2-yl]methyl}-1-(2-methylbut-3-en-2-yl)-3H-indol-2-one
CAS Registry NumberNot Available
SMILES
[H][C@](O)(CC[C@]1(C)[C@@]([H])(O)CC[C@]2(C)C(=C)[C@]([H])(C[C@]3([H])C(=O)N(C4=CC=CC=C34)C(C)(C)C=C)CC[C@@]12[H])C(C)(C)O
InChI Identifier
InChI=1S/C33H49NO4/c1-9-30(3,4)34-25-13-11-10-12-23(25)24(29(34)37)20-22-14-15-26-32(7,21(22)2)18-17-28(36)33(26,8)19-16-27(35)31(5,6)38/h9-13,22,24,26-28,35-36,38H,1-2,14-20H2,3-8H3/t22-,24-,26+,27-,28-,32+,33-/m0/s1
InChI KeyFHMUMBXUKWMPHG-GVFLWGQJSA-N