CAFESTOL PALMITATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H58O4
Molecular Weight	554.8433
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3(C[C@]1(O)COC(=O)CCCCCCCCCCCCCCC)CC[C@]4([H])C5=C(CC[C@@]4(C)[C@]3([H])CC2)OC=C5

InChI

InChIKey=DGPMHJKMSANHDM-SMDVAALKSA-N

InChI=1S/C36H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h21,24,28,30,32,38H,3-20,22-23,25-27H2,1-2H3/t28-,30-,32+,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H58O4
Molecular Weight	554.8433
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:23 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:23 GMT 2023`
Record UNII	P8W9M3T86Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAFESTOL PALMITATE

Common Name

English

HEXADECANOIC ACID, (3B,4,5,6,7,8,9,10,10A,10B,11,12-DODECAHYDRO-7-HYDROXY-10B-METHYL-5A,8-METHANO-5AH-CYCLOHEPTA(5,6)NAPHTHO(2,1-B)FURAN-7-YL)METHYL ESTER, (3BS-(3B.ALPHA.,5A.BETA.,7.BETA.,8.BETA.,10A.ALPHA.,10B.BETA.))-

Systematic Name

English

HEXADECANOIC ACID, ((3BS,5AS,7R,8R,10AR,10BS)-3B,4,5,6,7,8,9,10,10A,10B,11,12-DODECAHYDRO-7-HYDROXY-10B-METHYL-5A,8-METHANO-5AH-CYCLOHEPTA(5,6)NAPHTHO(2,1-B)FURAN-7-YL)METHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

81760-46-5

Created by admin on Sat Dec 16 08:06:23 GMT 2023 , Edited by admin on Sat Dec 16 08:06:23 GMT 2023

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FDA UNII

P8W9M3T86Y

Created by admin on Sat Dec 16 08:06:23 GMT 2023 , Edited by admin on Sat Dec 16 08:06:23 GMT 2023

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EPA CompTox

DTXSID401002186

Created by admin on Sat Dec 16 08:06:23 GMT 2023 , Edited by admin on Sat Dec 16 08:06:23 GMT 2023

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PUBCHEM

77014447

Created by admin on Sat Dec 16 08:06:23 GMT 2023 , Edited by admin on Sat Dec 16 08:06:23 GMT 2023

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