(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate

CAS 31316-20-8C31H50O2MW 454.7

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate (CAS 31316-20-8) — formula C31H50O2, molecular weight 454.7; category organic chemicals.

Product Overview

CAS Number	31316-20-8
Molecular Formula	C31H50O2
Molecular Weight	454.7
LogP	9.4
Category	Organic Chemicals

Technical Profile

What this product is

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate is a carbon-based organic compound with CAS registry number 31316-20-8 and molecular formula C31H50O2 (molecular weight 454.7), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 31316-20-8

Its molecular formula C31H50O2 comprises 31 C, 50 H, 2 O atoms.

Also known as: (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate · 维生素D3EP杂质F

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate?

The CAS registry number of (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate is 31316-20-8.

What is the molecular formula and molecular weight of (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate?

Molecular formula C31H50O2, molecular weight 454.7.

What other names is (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate known by?

It is also registered under: (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate, 维生素D3EP杂质F.

Which category does (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate (CAS 31316-20-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	31316-20-8
PubChem CID	14260146
分子式	C31H50O2
IUPAC 名称	[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] butanoate
UNII（FDA）	NS00001493

Computed descriptors

Molecular Weight	454.7
XLogP3	9.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	454.381080833
Monoisotopic Mass	454.381080833
Topological Polar Surface Area	26.3
Heavy Atom Count	33

Synonyms and trade names

Vitamin D3 butyrate; 31316-20-8; DTXSID201174670; (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-butanoate; 9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3beta,5Z,7E)-; RefChem:194528; DTXCID401606051; 250-567-5; Cholecalciferol butyrate; Butyrate-Vitamin D3; (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-yl butyrate; EINECS 250-567-5; EC 250-567-5; orb2564360; SCHEMBL30466122; CHEBI:188018

GHS hazard classification

已通报的危害声明	H300 (100%), H310 (100%), H330 (100%), H372 (100%), H413 (100%)

What the public record says

维生素D3EP杂质F · CAS 31316-20-8 · C31H50O2. UNII NS00001493.

Source: PubChem / Wikidata; the batch COA governs where values differ.

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Synonyms and trade names

GHS hazard classification

What the public record says

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