HOLACANTHONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O9
Molecular Weight	436.4523
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@]3(O)OC[C@@]14[C@@]([H])(C[C@@]5([H])C(C)=CC(=O)[C@@H](O)[C@]25C)OC(=O)[C@H](OC(C)=O)[C@@]4([H])[C@@H](C)[C@H]3O

InChI

InChIKey=OFHVBIQKCNMHKC-FJSLBGAUSA-N

InChI=1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O9
Molecular Weight	436.4523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:59:31 GMT 2023` Edited by `admin` on `Sat Dec 16 02:59:31 GMT 2023`
Record UNII	1W45S57JD6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HOLACANTHONE

Common Name

English

NSC-126765

Code

English

(1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-15-(ACETYLOXY)-11,20-EPOXY-1,11,12-TRIHYDROXYPICRAS-3-ENE-2,16-DIONE

Systematic Name

English

PICRAS-3-ENE-2,16-DIONE, 15-(ACETYLOXY)-11,20-EPOXY-1,11,12-TRIHYDROXY-, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

158475