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CAS 57605-80-8

:

(1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol

Description:
(1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol, with CAS number 57605-80-8, is a naturally occurring organic compound classified as a cembranoid, which is a type of bicyclic sesquiterpene. This compound features multiple double bonds and hydroxyl groups, contributing to its reactivity and potential biological activity. The stereochemistry indicated by its IUPAC name suggests specific spatial arrangements of its atoms, which can influence its interactions with biological systems. Cembratrienes are known for their presence in marine organisms, particularly in soft corals, and they may exhibit various pharmacological properties, including anti-inflammatory and cytotoxic effects. The presence of hydroxyl groups enhances its solubility in polar solvents and may facilitate interactions with biological macromolecules. Overall, (1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol is of interest in both natural product chemistry and medicinal research due to its unique structure and potential therapeutic applications.
Formula:C20H34O2
InChI:InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7-,17-13-/t18-,19+,20-/m1/s1
InChI key:InChIKey=RIVKDDXPCFBMOV-GOUCAWJLSA-N
SMILES:C(C)(C)[C@H]1/C=C/[C@@](C)(O)C[C@@H](O)/C=C(/C)\CC\C=C(\C)/CC1
Synonyms:
  • 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8E,12R*,13E)]-
  • α-Duva-4,8,13-triene-1,3-diol
  • 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1S,3R,4E,8E,12S,13E)-
  • 4,8,13-Cyclotetradecatriene-1,3-diol, 12-isopropyl-1,5,9-trimethyl-
  • (1S,3R,4E,8E,12S,13E)-1,5,9-Trimethyl-12-(1-methylethyl)-4,8,13-cyclotetradecatriene-1,3-diol
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