CAS 42612-19-1

(3bS,5aS,7R,8R,10aR,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one

Description:

The chemical substance with the name "(3bS,5aS,7R,8R,10aR,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one" and CAS number "42612-19-1" is a complex organic compound characterized by its multi-ring structure and multiple stereocenters, which contribute to its specific three-dimensional configuration. This compound features a glucopyranosyl moiety, indicating it has glycosidic properties, which may influence its solubility and biological activity. The presence of hydroxyl groups suggests potential for hydrogen bonding, enhancing its reactivity and interaction with biological systems. Its decahydro structure indicates a saturated framework, which may contribute to its stability. The intricate arrangement of functional groups and stereochemistry suggests that this compound could exhibit significant pharmacological properties, potentially acting as a bioactive agent in various biological contexts. Overall, its structural complexity and functional diversity make it a subject of interest in medicinal chemistry and natural product research.

Formula: C₂₆H₃₆O₁₀

InChI: InChI=1S/C26H36O10/c27-9-17-19(30)20(31)21(32)23(36-17)35-12-26(33)10-24-5-3-15-14-4-6-34-22(14)16(29)8-25(15,11-28)18(24)2-1-13(26)7-24/h4,6,13,15,17-21,23,27-28,30-33H,1-3,5,7-12H2/t13-,15-,17-,18-,19-,20+,21-,23-,24+,25+,26+/m1/s1

InChI key: InChIKey=TXMUQQBIIGAMBQ-COYPLDDNSA-N

SMILES: C(O)[C@]12[C@]3([C@]4(C[C@]([C@](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(O)C4)(CC3)[H])CC[C@@]1(C6=C(C(=O)C2)OC=C6)[H])[H]

Synonyms:

• (3bS,5aS,7R,8R,10aR,10bR)-7-[(β-<span class="text-smallcaps">D</span>-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one
• 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one, 7-[(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-, (3bS,5aS,7R,8R,10aR,10bR)-
• 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one, 7-[(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-, [3bS-(3bα,5aβ,7β,8β,10aα,10bβ)]-
• 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one,7-[(b-D-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-,[3bS-(3ba,5ab,7b,8b,10aa,10bb)]-
• Cafamarin
• (3bS,5aS,7R,8R,10aR,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one
• 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one, 7-[(β-D-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-7-hydroxy-10b-(hydroxymethyl)-, (3bS,5aS,7R,8R,10aR,10bR)-

Cafamarine

CAS: 42612-19-1

Formula: C₂₆H₃₆O₁₀

Molecular weight: 508.56

Ref: 4Z-C-342001