FARADIOL 3-O-LAURATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H72O3
Molecular Weight	625.0193
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]5(C)CC=C(C)[C@@H](C)[C@]25[H]

InChI

InChIKey=NKKIRZWINJADJC-GVWWBULUSA-N

InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3/t30-,31-,32+,33-,34+,35+,37-,39+,40-,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H72O3
Molecular Weight	625.0193
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:46:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:46:02 GMT 2023`
Record UNII	BS4CLY2VQP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FARADIOL 3-O-LAURATE

Common Name

English

FARADIOL 3-LAURATE

Common Name

English

URS-20-ENE-3,16-DIOL, 3-DODECANOATE, (3.BETA.,16.BETA.,18.ALPHA.,19.ALPHA.)-

Systematic Name

English

FARADIOL 3-MONOLAURATE

Common Name

English

Code System Code Type Description

FDA UNII

BS4CLY2VQP

Created by admin on Sat Dec 16 10:46:02 GMT 2023 , Edited by admin on Sat Dec 16 10:46:02 GMT 2023

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CAS

270078-40-5

Created by admin on Sat Dec 16 10:46:02 GMT 2023 , Edited by admin on Sat Dec 16 10:46:02 GMT 2023

PRIMARY

EPA CompTox

DTXSID701210883

Created by admin on Sat Dec 16 10:46:02 GMT 2023 , Edited by admin on Sat Dec 16 10:46:02 GMT 2023

PRIMARY

PUBCHEM

11273603

Created by admin on Sat Dec 16 10:46:02 GMT 2023 , Edited by admin on Sat Dec 16 10:46:02 GMT 2023

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Related Record Type Details


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CALENDULA OFFICINALIS FLOWER

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Calendula officinalis saponin. Calendula is not used in foods. Previously, calendula has been listed as GRAS (Generally Recognised As Safe).