BREVELIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26O5
Molecular Weight	346.4174
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C(\C)=C/C)[C@]1([H])[C@H](C)C(=O)O2

InChI

InChIKey=KUPPZVXLWANEJJ-UXPPPGSFSA-N

InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16-,17+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O5
Molecular Weight	346.4174
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:30 UTC 2023` Edited by `admin` on `Sat Dec 16 09:51:30 UTC 2023`
Record UNII	EKT624Z4TZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREVELIN A

Common Name

English

(3S,3AR,4S,4AR,7AR,8R,9AR)-3,4A,8-TRIMETHYL-2,5-DIOXO-2,3,3A,4,4A,5,7A,8,9,9A-DECAHYDROAZULENO(6,5-B)FURAN-4-YL (2Z)-2-METHYL-2-BUTENOATE

Systematic Name

English

6-O-ANGELOYLPRENOLIN

Common Name

English

6-O-ANGELOYLPLENOLIN

Common Name

English

AMBROS-2-EN-12-OIC ACID, 6.ALPHA.,8.BETA.-DIHYDROXY-4-OXO-, 12,8-LACTONE, 2-METHYLCROTONATE, (Z)-

Systematic Name

English

BREVILIN A

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, (3S,3AR,4S,4AR,7AR,8R,9AR)-2,3,3A,4,4A,5,7A,8,9,9A-DECAHYDRO-3,4A,8-TRIMETHYL-2,5-DIOXOAZULENO(6,5-B)FURAN-4-YL ESTER, (2Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

EKT624Z4TZ

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

CAS

16503-32-5

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

PUBCHEM

12302076

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

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