Products 167775-54-4

CAS 167775-54-4 appears in our catalog under these names: 3–epidehydrotumulosic acid, 3-Epi-dehydrotumulosic acid, 3-Epidehydrotumulosic acid, 98.14%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 5 mg, 1 mg.

3–epidehydrotumulosic acid
GLPBio
  • size: 5mg, 1mg
  • Variants: 2
from 1425.49
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3-Epi-dehydrotumulosic acid
Biosynth
  • size: 10mg, 5mg
  • Variants: 2
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3-Epidehydrotumulosic acid, 98.14%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 1155.61
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Structural formula: {0} (CAS {1})

3-Epidehydrotumulosic acid is a cholanoid.

Source: ChEBI

Identity
Molecular formulaC31H48O4
Molecular weight484.7 g/mol
IUPAC name(2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
InChIKeyLADJWZMBZBVBSB-HSGZZQKSSA-N
SMILESCC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 3-epidehydrotumulosic acid, 3-Epidehydrotumulosate, 3-epi-Dehydrotumulosic acid, 3-epi-dehydro-tumulosic acid, orb1684988, (3|_,16|_)-3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, (3alpha,16alpha)-3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid
Related forms of this compound
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid C31H48O4
Isomers (same molecular formula)
2-(2,3-dihydroxy-3,7,11,15-tetramethylhexadecyl)-3-methylnaphthalene-1,4-dione C31H48O4
4-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-4-oxobutanoic acid C31H48O4
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-oxododecanoate C31H48O4
methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylate C31H48O4
(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one C31H48O4