FARADIOL 3-PALMITATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H80O3
Molecular Weight	681.1256
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)CCCCCCCCCCCCCCC)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=TXBRTEQRWJPSKE-FIBMEZNKSA-N

InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3/t34-,35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H80O3
Molecular Weight	681.1256
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:09 UTC 2023` Edited by `admin` on `Sat Dec 16 10:47:09 UTC 2023`
Record UNII	DGE7WPP4LD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FARADIOL 3-PALMITATE

Common Name

English

FARADIOL-3-O-PALMITATE

Common Name

English

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

Systematic Name

English

((3S,4AR,6AR,6AR,6BR,8S,8AS,12S,12AR,14AR,14BR)-8-HYDROXY-4,4,6A,6B,8A,11,12,14B-OCTAMETHYL-2,3,4A,5,6,6A,7,8,9,12,12A,13,14,14A-TETRADECAHYDRO-1H-PICEN-3-YL) HEXADECANOATE

Systematic Name

English

FARADIOL 3-MONOPALMITATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID401200538

Created by admin on Sat Dec 16 10:47:09 UTC 2023 , Edited by admin on Sat Dec 16 10:47:09 UTC 2023

PRIMARY

FDA UNII

DGE7WPP4LD

Created by admin on Sat Dec 16 10:47:09 UTC 2023 , Edited by admin on Sat Dec 16 10:47:09 UTC 2023

PRIMARY

PUBCHEM

11388345

Created by admin on Sat Dec 16 10:47:09 UTC 2023 , Edited by admin on Sat Dec 16 10:47:09 UTC 2023

PRIMARY

CAS

193690-84-5

Created by admin on Sat Dec 16 10:47:09 UTC 2023 , Edited by admin on Sat Dec 16 10:47:09 UTC 2023

PRIMARY

Related Record Type Details


					P0M7O4Y7YD

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).

Amount: