Products 4439-98-9

CAS 4439-98-9 appears in our catalog under these names: Betulonaldehyde, Betulonic aldehyde. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 10mg, 100mg, 50mg, 25mg, 10 mg, 25 mg, 50 mg, 100 mg.

Betulonaldehyde
GLPBio, MedChemExpress
  • size: 10mg, 100mg, 50mg, 10 mg
  • Variants: 8
from 1448.89
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Betulonic aldehyde
Biosynth
  • size: 25mg, 10mg, 50mg, 100mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde (CAS 4439-98-9) is a chemical compound with the molecular formula C30H46O2 and a molecular weight of 438.7 g/mol. IUPAC name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde. InChIKey: MHAVMNJPXLZEIG-CNRMHUMKSA-N.

Identity
Molecular formulaC30H46O2
Molecular weight438.7 g/mol
IUPAC name(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
InChIKeyMHAVMNJPXLZEIG-CNRMHUMKSA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C=O

Computed by PubChem (NCBI)

Synonyms: betulonaldehyde, Betulonal, Betulonolic aldehyde, Betulonic Aldehyde, 3-oxolup-20(29)-en-28-al, Betulonic aldehyde, betulonal, Lup-20(29)-en-28-al-3-one, orb1740236, MHAVMNJPXLZEIG-CNRMHUMKSA-N, 3,28-Dideoxy-3,28-dioxobetulin
Isomers (same molecular formula)
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol C30H46O2
[(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C30H46O2
2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol C30H46O2
(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C30H46O2
(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one C30H46O2
(E,6R)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal C30H46O2
(4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione C30H46O2
(4aS,6aR,6aS,6bR,8aS,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-4a-carboxylic acid C30H46O2
(1R,4S,5S,8R,9R,12S,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol C30H46O2