DIHYDROHOLACANTHONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O9
Molecular Weight	438.4682
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
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@@H](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=KIZWNNDWEPUGBU-ICNKIGFJSA-N

InChI=1S/C22H30O9/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/h8-9,11,13-17,19,25-26,28H,5-7H2,1-4H3/t8-,9+,11-,13+,14+,15+,16+,17+,19+,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O9
Molecular Weight	438.4682
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:18:33 GMT 2023` Edited by `admin` on `Sat Dec 16 02:18:33 GMT 2023`
Record UNII	2IOG5P77VR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHYDROHOLACANTHONE

Common Name

English

PICRASANE-2,16-DIONE, 15-(ACETYLOXY)-11,20-EPOXY-1,11,12-TRIHYDROXY-, (1.BETA.,4.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2IOG5P77VR

Created by admin on Sat Dec 16 02:18:33 GMT 2023 , Edited by admin on Sat Dec 16 02:18:33 GMT 2023

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CAS

77648-51-2

Created by admin on Sat Dec 16 02:18:33 GMT 2023 , Edited by admin on Sat Dec 16 02:18:33 GMT 2023

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EPA CompTox

DTXSID10998863

Created by admin on Sat Dec 16 02:18:33 GMT 2023 , Edited by admin on Sat Dec 16 02:18:33 GMT 2023

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PUBCHEM

21120860

Created by admin on Sat Dec 16 02:18:33 GMT 2023 , Edited by admin on Sat Dec 16 02:18:33 GMT 2023

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