 Home > Encyclopedia > 6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol

6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol

6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol structure

CAS No:
135821-90-8
Formula:
C28H46O3
Chemical Name:
6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol
Synonyms:
A-Homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-OH-D3; Hddd-25-OH-D3; A-Homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-hydroxyvitamin D3;

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6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol Basic Attributes

Molecular Weight：

430.66300

Exact Mass：

430.34469533

Characteristics

PSA：

38.69000

XLogP3：

7.11610

Density：

1.01g/cm3

Boiling Point：

522.2ºC at 760mmHg

Flash Point：

280.3ºC

Refractive Index：

1.523

Vapor Pressure：

4.35E-13mmHg at 25°C

Drug Information

MeSH Entry Terms：

A-homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-hydroxyvitamin D3

Computed Properties

Molecular Weight:430.7
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:430.34469533
Monoisotopic Mass:430.34469533
Topological Polar Surface Area:38.7
Heavy Atom Count:31
Complexity:729
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-[(1R,3aR,4E,7aR)-4-[(2E)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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