CHOLESTERYL TRIACONTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H104O2
Molecular Weight	821.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C

InChI

InChIKey=MJLQPXJUUPSTSQ-DGMGDIRUSA-N

InChI=1S/C57H104O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37-55(58)59-50-42-44-56(5)49(46-50)38-39-51-53-41-40-52(48(4)36-34-35-47(2)3)57(53,6)45-43-54(51)56/h38,47-48,50-54H,7-37,39-46H2,1-6H3/t48-,50+,51+,52-,53+,54+,56+,57-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C57H104O2
Molecular Weight	821.4345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:57:17 GMT 2025` Edited by `admin` on `Mon Mar 31 19:57:17 GMT 2025`
Record UNII	L9DG7MY58R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLEST-5-EN-3-OL (3.BETA.)-, TRIACONTANOATE

Preferred Name

English

CHOLESTERYL TRIACONTANOATE

Common Name

English

Code System Code Type Description

PUBCHEM

71587323

Created by admin on Mon Mar 31 19:57:17 GMT 2025 , Edited by admin on Mon Mar 31 19:57:17 GMT 2025

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CAS

87080-61-3

Created by admin on Mon Mar 31 19:57:17 GMT 2025 , Edited by admin on Mon Mar 31 19:57:17 GMT 2025

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FDA UNII

L9DG7MY58R

Created by admin on Mon Mar 31 19:57:17 GMT 2025 , Edited by admin on Mon Mar 31 19:57:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID90236119

Created by admin on Mon Mar 31 19:57:17 GMT 2025 , Edited by admin on Mon Mar 31 19:57:17 GMT 2025

PRIMARY