Neoabietic acid (Standard)

cas: 471-77-2 — see every product listed under this CAS number, including other names

Neoabietic acid (Standard) (CAS 471-77-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas471-77-2
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Structural formula: {0} (CAS {1})

Neoabietic acid is a diterpenoid.

Source: ChEBI

Identity
Molecular formulaC20H30O2
Molecular weight302.5 g/mol
IUPAC name(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
InChIKeyKGMSWPSAVZAMKR-ONCXSQPRSA-N
SMILESCC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C

Computed by PubChem (NCBI)

Synonyms: NEOABIETIC ACID, Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-, 4-09-00-02177 (Beilstein Handbook Reference), Neoabietate, KGMSWPSAVZAMKR-UHFFFAOYSA-N, Abieta-8(14),13(15)-dien-18-oic acid, Neoabietinsaure, neobietic acid, orb1690507, 8(14),13(15)-abietadien-18-oic acid
Isomers (same molecular formula)
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid C20H30O2
(3R,5R,8R,9R,10S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C20H30O2
(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C20H30O2
13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-ol C20H30O2
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraen-1-ol C20H30O2
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid C20H30O2
(8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C20H30O2
(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol C20H30O2
(3S,5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C20H30O2
(3R,5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C20H30O2
4-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-ol C20H30O2
(5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid C20H30O2

Also listed as

Neoabietic Acid, >95% (HPLC) TRC CAS 471-77-2
Neoabietic acid Dr. Ehrenstorfer CAS 471-77-2
Neoabietic acid >99% Biosynth CAS 471-77-2

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