CAS 163594-75-0: (+)-Taxadiene

Description:(+)-Taxadiene is a naturally occurring sesquiterpene and a key intermediate in the biosynthesis of taxanes, which are important compounds in the pharmaceutical industry, particularly for cancer treatment. It is characterized by its complex bicyclic structure, which includes a unique arrangement of carbon atoms that contributes to its biological activity. The compound is typically found in the Pacific yew tree (Taxus brevifolia) and exhibits a specific stereochemistry, denoted by the (+) designation, indicating its optical activity. (+)-Taxadiene is known for its hydrophobic nature, which influences its solubility and interaction with biological membranes. Its synthesis and modification have been of interest in organic chemistry and medicinal chemistry, as researchers explore its potential applications and derivatives. The compound's CAS number, 163594-75-0, is a unique identifier that facilitates its identification in chemical databases and literature. Overall, (+)-Taxadiene plays a significant role in the development of taxane-based therapeutics, highlighting its importance in both natural product chemistry and pharmacology.

Formula:C₂₀H₃₂

InChI:InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1

InChI key:InChIKey=FRJSECSOXKQMOD-HQRMLTQVSA-N

SMILES:C1=C(C)C2CC3CCC(=C(CCC2(C)CC1)C3(C)C)C

Synonyms:
Taxa-4(5),11(12)-diene
6,10-Methanobenzocyclodecene, 1,2,4a,5,6,7,8,11,12,12a-decahydro-4,9,12a,13,13-pentamethyl-, (4aS,6S,12aS)-
(4aS,6S,12aS)-1,2,4a,5,6,7,8,11,12,12a-Decahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene
(+)-Taxa-4(5),11(12)-diene
6,10-Methanobenzocyclodecene, 1,2,4a,5,6,7,8,11,12,12a-decahydro-4,9,12a,13,13-pentamethyl-, [4aS-(4aα,6β,12aβ)]-