Isoadiantone

cas: 54352-47-5 — see every product listed under this CAS number, including other names

Isoadiantone (CAS 54352-47-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-129327-Get quote
cas54352-47-5
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Structural formula: {0} (CAS {1})

1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone (CAS 54352-47-5) is a chemical compound with the molecular formula C29H48O and a molecular weight of 412.7 g/mol. IUPAC name: 1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone. InChIKey: DCBAVUVLEYSTPU-ZTPVQENVSA-N.

Identity
Molecular formulaC29H48O
Molecular weight412.7 g/mol
IUPAC name1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone
InChIKeyDCBAVUVLEYSTPU-ZTPVQENVSA-N
SMILESCC(=O)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C

Computed by PubChem (NCBI)

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