Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)

CAS

901-62-2

Catalog Number

ACM901622

Category

Other Products

Molecular Weight

318.4504

Molecular Formula

C₂₀H₃₀O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Androst-5-en-17-one, 3-hydroxy-7-methoxy-, (3beta,7alpha)- (9CI)

What is the molecular formula of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The molecular formula is C20H30O3.

What is the PubChem CID of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The PubChem CID is 45092606.

What are the synonyms of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The synonyms are 901-62-2, DTXSID40667035, Androst-5-en-17-one, 3-hydroxy-7-methoxy-, (3S,7S,8R,9S,10R,13S,14S)-3-hydroxy-7-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, and Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci).

What is the molecular weight of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The molecular weight is 318.4 g/mol.

What is the IUPAC name of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The IUPAC name is (3S,7S,8R,9S,10R,13S,14S)-3-hydroxy-7-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

What is the InChI of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The InChI is InChI=1S/C20H30O3/c1-19-8-6-13(21)10-12(19)11-16(23-3)18-14-4-5-17(22)20(14,2)9-7-15(18)19/h11,13-16,18,21H,4-10H2,1-3H3/t13-,14-,15-,16+,18-,19-,20-/m0/s1.

What is the InChIKey of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The InChIKey is LJJCJCRHRJRSIY-XLXYOEISSA-N.

What is the canonical SMILES of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The canonical SMILES is CC12CCC3C(C1CCC2=O)C(C=C4C3(CCC(C4)O)C)OC.

What is the isomeric SMILES of Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci)?

The isomeric SMILES is C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC.

Is Androst-5-en-17-one,3-hydroxy-7-methoxy-,(3beta,7alpha)-(9ci) a canonicalized compound?

Yes, it is a canonicalized compound.