(3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene | CAS No. 17904-55-1

(3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene

Basic Information

CAS Number

17904-55-1

Molecular Formula

C31H52O

Molecular Weight

440.76 g/mol

AD

Basic Physical Properties

CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C

InChI

InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1

InChIKey

MRNPHCMRIQYRFU-UWAWSDATSA-N

LogP

8.678900000000006

Topological Polar Surface Area

9.23 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

792

Synonyms & References

English

  • (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
  • Q-100936
  • Cylindrin
  • DTXSID30939172
  • CS-0081264
  • CHEBI:81166
  • 17904-55-1
  • SCHEMBL3679265
  • C17534
  • Q27155121
  • HY-121227
  • 9-Methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
  • AKOS040745691
  • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)-
  • (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5 a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13 ,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
  • Isoapoptolidin
  • isoapoptolidin A
  • isoarborinol methyl ether
  • Isoarborinol-methylester
  • Cylindrin(7CI)
  • D:C-Friedo-B':A'-neo-8b,13b,14a,17b,18a,21aH-gammacer-9(11)-ene, 3b-methoxy- (8CI)
  • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3b,8b,13b,14a,17b,18a,21b)-
  • Arborinol methyl ether
  • (8β,13β,14α,17β,18α,21β)-3β-Methoxy-D:C-friedo-B':A'-neogammacer-9(11)-ene

MDL Number

MFCD13195560

FAQ

What is (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene (CAS: 17904-55-1)?

This compound is a complex polycyclic hydrocarbon with a highly symmetrical structure. It is characterized by a large number of methyl groups and a specific stereochemistry, making it unique in its molecular composition. It is not commonly encountered in everyday life and does not have a common chemical formula for general reference.

What are the main uses of (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene (CAS: 17904-55-1)?

This compound is primarily used in specialized research and development for its unique physical and chemical properties. It may also have potential applications in pharmaceuticals and materials science, but its specific uses are limited and require further investigation.

Is (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene (CAS: 17904-55-1) safe?

While the compound is not inherently dangerous, it should be handled with care. It is important to follow safety guidelines, such as wearing appropriate protective gear and storing it in a well-ventilated area. It is advisable to consult specific safety data sheets (SDS) for more detailed handling instructions.

How should (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene (CAS: 17904-55-1) be stored?

This compound should be stored in a cool, dark place to prevent degradation. It is recommended to keep it in a sealed container made of a compatible material, such as glass or metal, to prevent exposure to moisture and air. Avoid storing it in areas with high humidity or direct sunlight to ensure its stability and safety.

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