CAS 70407-19-1

(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione

Description:

The chemical substance with the name "(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione" and CAS number "70407-19-1" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple fused rings and functional groups. This compound features a naphtho-pyran framework, indicative of its potential biological activity. The presence of hydroxyl groups suggests it may exhibit hydrogen-bonding capabilities, influencing its solubility and reactivity. The methoxy group attached to the benzodioxole moiety may enhance its lipophilicity and biological interactions. Such compounds are often studied for their pharmacological properties, including antioxidant and anti-inflammatory activities. The stereochemistry, denoted by the specific R and S configurations, plays a crucial role in determining the compound's biological activity and interaction with biological targets. Overall, this substance exemplifies the complexity and diversity of natural product chemistry, with potential applications in medicinal chemistry and drug development.

Formula: C₂₈H₃₀O₉

InChI: InChI=1S/C28H30O9/c1-24(2)7-6-21(29)26(4)27(24,31)9-8-25(3)28(26,32)13-16-18(37-25)12-17(36-23(16)30)15-10-19(33-5)22-20(11-15)34-14-35-22/h6-7,10-12,31-32H,8-9,13-14H2,1-5H3

InChI key: InChIKey=LCJHAHVVYAVVPA-UHFFFAOYSA-N

SMILES: OC12C3(C)C(O)(CCC1(C)OC4=C(C2)C(=O)OC(=C4)C=5C=C6C(=C(OC)C5)OCO6)C(C)(C)C=CC3=O

Synonyms:

• 4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,6a,12b-tetramethyl-, (4aR,6aR,12aS,12bS)-
• 4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,6a,12b-tetramethyl-, [4aR-(4aα,6aβ,12aα,12bβ)]-
• (4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione
• Territrem A