FARADIOL-3-O-MYRISTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H76O3
Molecular Weight	653.0724
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)CCCCCCCCCCCCC)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=NBOLCRCNSYVBMT-JVFFPKSBSA-N

InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H76O3
Molecular Weight	653.0724
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 10:46:00 GMT 2023` Edited by `admin` on `Sat Dec 16 10:46:00 GMT 2023`
Record UNII	RK5P79M6DQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FARADIOL-3-O-MYRISTATE

Common Name

English

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

Systematic Name

English

FARADIOL 3-MONOMYRISTATE

Common 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) TETRADECANOATE

Systematic Name

English

FARADIOL 3-MYRISTATE

Common Name

English

Code System Code Type Description

FDA UNII

RK5P79M6DQ

Created by admin on Sat Dec 16 10:46:00 GMT 2023 , Edited by admin on Sat Dec 16 10:46:00 GMT 2023

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EPA CompTox

DTXSID501198792

Created by admin on Sat Dec 16 10:46:00 GMT 2023 , Edited by admin on Sat Dec 16 10:46:00 GMT 2023

PRIMARY

CAS

193690-82-3

Created by admin on Sat Dec 16 10:46:00 GMT 2023 , Edited by admin on Sat Dec 16 10:46:00 GMT 2023

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PUBCHEM

11763698

Created by admin on Sat Dec 16 10:46:00 GMT 2023 , Edited by admin on Sat Dec 16 10:46:00 GMT 2023

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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: