Product Code

TRC-O859030

CAS Number

81201-82-3

Product Format

Neat

Molecular Formula

C22 H30 O2

Molecular Weight

326.472

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(20S)-3-oxo-Pregna-1,4-diene-20-carboxaldehyde

CAS Number

81201-82-3

Molecular Formula

C22 H30 O2

Molecular Weight

326.472

Accurate Mass

326.225

SMILES

CC(C=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C22H30O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12-14,17-20H,4-7,9,11H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1

IUPAC

2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanal

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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(20S)​-3-​oxo-Pregna-​1,​4-​diene-​20-​carboxaldehyde

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