.BETA.-ANTIARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H42O11
Molecular Weight	566.6372
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MFIXZHBJWSBQJA-KRRSKSLRSA-N

InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H42O11
Molecular Weight	566.6372
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:37:18 GMT 2023` Edited by `admin` on `Sat Dec 16 09:37:18 GMT 2023`
Record UNII	JI0QAN6VB0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ANTIARIN

Common Name

English

CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,12,14-TRIHYDROXY-19-OXO-, (3.BETA.,5.BETA.,12.BETA.)-

Systematic Name

English

BETA-ANTIARIN

Common Name

English

Code System Code Type Description

PUBCHEM

6325617

Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023

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EPA CompTox

DTXSID401336688

Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023

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CAS

639-13-4

Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023

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FDA UNII

JI0QAN6VB0

Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023

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