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CAS 1260-05-5

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1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-

Description:
1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol, with the CAS number 1260-05-5, is a complex organic compound characterized by its polycyclic structure, which consists of fused naphthalene rings and additional cycloheptane components. This compound features multiple stereocenters, contributing to its chiral nature, and exhibits specific stereochemistry denoted by its (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR) configuration. The presence of hydroxyl (-OH) groups at the 3 and 11 positions indicates that it is a diol, which can influence its solubility and reactivity. The compound also contains a heptamethyl group and an acetate functional group, which can affect its physical properties, such as melting point and boiling point, as well as its biological activity. Due to its intricate structure, this compound may have applications in organic synthesis, materials science, or medicinal chemistry, although specific uses would depend on further research into its properties and interactions.
Formula:C32H52O3
InChI:InChI=1S/C32H52O3/c1-20(33)35-27-15-18-32(8)24(29(27,4)5)13-16-30(6)19-21-9-11-23-28(2,3)26(34)14-17-31(23,7)22(21)10-12-25(30)32/h9,22-27,34H,10-19H2,1-8H3/t22-,23-,24-,25-,26+,27-,30-,31+,32-/m0/s1
InChI key:InChIKey=JTMRPEBSVBAWGS-UFEYJMCTSA-N
SMILES:C[C@@]12[C@@]3([C@](C)(CC=4[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@H](O)CC5)[H])[H])CC[C@]1(C(C)(C)[C@@H](OC(C)=O)CC2)[H])[H]
Synonyms:
  • 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, [3S-(3a,4ab,6aa,9aa,11a,13ab,13ba,15ab,15ba)]-
  • 1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-
  • 21-Episerratenediol, 3-acetate
  • 21-Episerratenediol,3-acetate (7CI)
  • 21-epi-Serratenediol 3-acetate
  • 21b-Hydroxyserrat-14-en-3b-yl acetate
  • C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 3-acetate, (3b,21b)-
  • Phlegmanol C
  • C(14a)-Homo-27-norgammacer-14-ene-3β,21β-diol 3-acetate
  • Phlegmal C
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