3–epidehydrotumulosic acid

cas: 167775-54-4 — see every product listed under this CAS number, including other names

3–epidehydrotumulosic acid (CAS 167775-54-4) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGF30567-5mg
cas167775-54-4
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 3218.12 Pln
GLPBio 1mg 1425.49 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
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
methyl 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate C31H48O4
(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid C31H48O4
methyl (2R)-2-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate C31H48O4
methyl (4aS,6aR,6bS,10R,12aS,14aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,7,8,8a,10,11,12,14a,14b-dodecahydro-1H-picene-4a-carboxylate C31H48O4

Also listed as

3-Epi-dehydrotumulosic acid Biosynth CAS 167775-54-4
3-Epidehydrotumulosic acid, 98.14% MedChemExpress CAS 167775-54-4