Products 104012-37-5

CAS 104012-37-5 appears in our catalog under these names: Tussilagone, Tussilagone/ 98.17% (existing batch purity), Tussilagone 98+%, Tussilagone (Standard), Tussilagone, 99.52%. Offered by: GLPBio, TargetMol, Ambeed, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg, 100mg, 20mg, Get quote.

Tussilagone
GLPBio
  • size: 5mg, 1mg, 10mg, 20mg
  • Variants: 4
from 587.68
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Tussilagone/ 98.17% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 518.63
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Tussilagone 98+%
Ambeed
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 470.50
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Tussilagone (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Tussilagone, 99.52%
MedChemExpress
  • size: 1 mg, 50 mg, 10 mg, 10mM/1mL
  • Variants: 7
from 431.15
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Structural formula: {0} (CAS {1})

[(1S,3aR,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate (CAS 104012-37-5) is a chemical compound with the molecular formula C23H34O5 and a molecular weight of 390.5 g/mol. IUPAC name: [(1S,3aR,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate. InChIKey: CFUPNMDNSQIWBB-UUVDBSHOSA-N.

Identity
Molecular formulaC23H34O5
Molecular weight390.5 g/mol
IUPAC name[(1S,3aR,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
InChIKeyCFUPNMDNSQIWBB-UUVDBSHOSA-N
SMILESCC/C(=C/C(=O)O[C@@H]1C[C@H]([C@H]2[C@H](C1=C)CC(=O)[C@@H]2[C@@H](C)OC(=O)C)C(C)C)/C

Computed by PubChem (NCBI)

Synonyms: Tussilagone, (7R,14R)-14-Acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone, 14-acetoxy-7B-(3'-ethylcrotonoyloxy)-notonipetranone, oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3'-methylpent-2'-enoyloxy)-, Tussilagone (Standard), orb1300232, orb3140233, Tussilagone(7R,14R)-14-Acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone
Isomers (same molecular formula)
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate C23H34O5
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C23H34O5
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O5
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O5
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
(3E,4S)-3-[2-[(2aS,4aS,5R,8aS,8bR)-2a-hydroxy-8b-(hydroxymethyl)-2,2,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-1H-cyclobuta[a]naphthalen-5-yl]ethylidene]-4-hydroxyoxolan-2-one C23H34O5