 Home > Encyclopedia > (3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster

(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster

(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster structure

CAS No:
252893-56-4
Formula:
C32H54O4Si
Chemical Name:
(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster
Synonyms:
(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylic Acid Methyl Ester;(32,5Z,7E,24R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylic Acid Methyl Ester;1H-Indene-1-pentanoic acid, 4-[(2Z)-2-[(5S)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α-hydroxy-δ,7a-dimethyl-, methyl ester, (αR,δR,1R,3aS,4E,7aR)-;(3β,5Z,7E,24R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylic Acid Methyl Ester

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(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster Basic Attributes

Molecular Weight：

530.85

Exact Mass：

530.37913673

Characteristics

Density：

1.01±0.1 g/cm3

Boiling Point：

573.2±40.0 °C(Predicted)

PKA：

12.99±0.20

(3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster Use and Manufacturing

(3β,5Z,7E,24R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylic Acid Methyl Ester is an intermediate in the synthesis of Secalciferol (S211500), metabolite of Vitamin D, a possible anti-inflammatory steroid.

Computed Properties

Molecular Weight:530.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:530.37913673
Monoisotopic Mass:530.37913673
Topological Polar Surface Area:55.8
Heavy Atom Count:37
Complexity:895
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3β,5Z,7E,24R)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-24-hydroxy-9,10-secochola-5,7,10(19)-triene-24-carboxylicAcidMethylEster

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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