CERBERIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O9
Molecular Weight	576.7181
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)C1)O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]6OC(C)=O

InChI

InChIKey=UYQMTWMXBKEHJQ-IVHDSYOHSA-N

InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O9
Molecular Weight	576.7181
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:25:55 UTC 2023` Edited by `admin` on `Sat Dec 16 09:25:55 UTC 2023`
Record UNII	KW5A155S64
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CERBERIN

Common Name

English

VENENIFERIN

Common Name

English

2'-ACETYLNERIIFOLIN

Common Name

English

MONOACETYLNERIIFOLIN

Common Name

English

NERIIFOLIN 2'-ACETATE [MI]

Common Name

English

CARD-20(22)-ENOLIDE, 3-((2-O-ACETYL-6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-

Systematic Name

English

NERIIFOLIN 2'-ACETATE

Common Name

English

Code System Code Type Description

WIKIPEDIA

CERBERIN