(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate | CAS No. 2241135-31-7

(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate

Basic Information

CAS Number

2241135-31-7

Molecular Formula

C38H56O5

Molecular Weight

592.8 g/mol

AD

Basic Physical Properties

Physical State

Powder

Boiling Point

666.9±55.0 °C(Predicted)

Density

1.14±0.1 g/cm3(Predicted)

CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC(=O)C6=CC(=C(C(=C6)OC)O)O)(C)C)C)C)C

InChI

InChI=1S/C38H56O5/c1-33(2)18-19-35(5)14-10-27-37(7)15-11-26-34(3,4)30(43-32(41)23-20-24(39)31(40)25(21-23)42-9)13-17-36(26,6)28(37)12-16-38(27,8)29(35)22-33/h10,20-21,26,28-30,39-40H,11-19,22H2,1-9H3

InChIKey

STVINYJTRNLBHC-UHFFFAOYSA-N

LogP

9.4534

pKa

8.04±0.25(Predicted)

Topological Polar Surface Area

75.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

1140

Synonyms & References

English

  • 2241135-31-7
  • (3,4-Dihydroxy-5-methoxybenzoyl)taraxerol
  • 27-Norolean-14-en-3-ol, 13-methyl-, 3-(3,4-dihydroxy-5-methoxybenzoate), (3β,13α)-
  • 4-Dihydroxy-5-methoxybenzoyl)taraxerol

FAQ

What is (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate (CAS: 2241135-31-7)?

This compound is a complex organic molecule with a highly substituted icosahydro-3-picenyl structure. It contains multiple methyl groups and exhibits hydroxy and methoxy functionalities. This compound is not commonly found in natural products and is primarily of interest in chemical synthesis and research.

What are the main uses of (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate (CAS: 2241135-31-7)?

This compound is primarily used in specialized research and development for new chemical entities. It may also serve as a precursor for the synthesis of more complex molecules in pharmaceutical and material science applications.

Is (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate (CAS: 2241135-31-7) safe?

This compound is safe for handling when appropriate laboratory procedures are followed. Proper protective measures such as gloves, goggles, and a fume hood should be used. Avoid skin and eye contact, and ensure good ventilation. Disposal should be done through proper chemical waste management procedures.

How should (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl 3,4-dihydroxy-5-methoxybenzoate (CAS: 2241135-31-7) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Refrigeration may be required if the compound is sensitive to temperature changes. Always follow manufacturer's instructions and local regulations for storage and handling of chemicals.

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