CAS 197799-63-6

2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-

Description:

The chemical substance known as "2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-" with CAS number 197799-63-6 is a complex organic compound characterized by its unique structural features, including multiple rings and functional groups. This compound contains a naphthalene core, which is a polycyclic aromatic hydrocarbon, and exhibits epoxide functionality, indicating the presence of an epoxide group that can participate in various chemical reactions. The presence of carboxylic acid and methoxycarbonyl groups suggests potential for reactivity and interactions in biological systems. The stereochemistry indicated by the (1R,4aS,8aR)- designation implies specific spatial arrangements of atoms, which can influence the compound's biological activity and interactions. Overall, this substance may have applications in medicinal chemistry or as a synthetic intermediate, although specific biological or pharmacological properties would require further investigation.

Formula: C₂₁H₂₆O₇

InChI: InChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-/t15-,16+,21+/m1/s1

InChI key: InChIKey=CAXSJVGHYYBJKT-GVXCCEMESA-N

SMILES: C(O)(=O)C=1[C@@]23[C@@]([C@](OC2=O)(C(=O)C1/C=C(\C(OC)=O)/C(C)C)[H])(C(C)(C)CCC3)[H]

Synonyms:

• Rosmic acid
• 2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, [1α,3(Z),4aα,8aβ]-(+)-
• 2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-

Rosmic acid

CAS: 197799-63-6

Rosmic acid is a useful organic compound for research related to life sciences. The catalog number is T125434 and the CAS number is 197799-63-6.

Formula: C₂₁H₂₆O₇

Color and Shape: Solid

Molecular weight: 390.432

Ref: TM-T125434