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CAS 13956-52-0

:

(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol

Description:
The chemical substance with the name "(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol" and CAS number "13956-52-0" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a polycyclic structure, which includes multiple fused rings, contributing to its rigidity and potential biological activity. The presence of hydroxymethyl groups suggests potential for hydrogen bonding and reactivity, while the hexamethyl substitution indicates a high degree of alkylation, which can influence its solubility and lipophilicity. This compound may exhibit unique physical properties such as melting and boiling points, and its stereochemical configuration could affect its interaction with biological systems, making it of interest in medicinal chemistry and pharmacology. Overall, its structural complexity and functional diversity suggest potential applications in various fields, including drug development and materials science.
Formula:C30H50O3
InChI:InChI=1S/C30H50O3/c1-26(2)21-9-7-19-17-27(3)14-11-23-29(5,16-13-25(33)30(23,6)18-31)22(27)10-8-20(19)28(21,4)15-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20-,21-,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1
InChI key:InChIKey=VYUNCIDAMBNEFU-WUKVYDFWSA-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@](CO)(C)[C@@H](O)CC2)[H])[H]
Synonyms:
  • Serratriol
  • C(14a)-Homo-27-norgammacer-14-ene-3,21,23-triol, (3β,4β,21α)-
  • 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-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-, (3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-
  • C(14a)-Homo-27-norgammacer-14-ene-3β,21α,24-triol
  • (3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol
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Purity (%)
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50
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90
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95
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100
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