14-DEOXY-14,15-ANHYDROANDROGRAPHOLIDE SUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36O10
Molecular Weight	532.5794
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 14-DEOXY-14,15-ANHYDROANDROGRAPHOLIDE SUCCINATE

Structure Search

SMILES

[H][C@]12CCC(=C)[C@@H](C\C=C3/C=COC3=O)[C@]1(C)CC[C@@H](OC(=O)CCC(O)=O)[C@@]2(C)COC(=O)CCC(O)=O

InChI

InChIKey=RVMAILYTHYEMAC-AETYNEKVSA-N

InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5,13,15,19-21H,1,4,6-12,14,16H2,2-3H3,(H,29,30)(H,31,32)/b18-5+/t19-,20+,21-,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H36O10
Molecular Weight	532.5794
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:46:42 GMT 2023` Edited by `admin` on `Sat Dec 16 14:46:42 GMT 2023`
Record UNII	0VH807VAD9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

14-DEOXY-14,15-ANHYDROANDROGRAPHOLIDE SUCCINATE

Common Name

English

BUTANEDIOIC ACID, 1-(((1R,2R,4AS,5R,8AS)-2-(3-CARBOXY-1-OXOPROPOXY)DECAHYDRO-1,4A-DIMETHYL-6-METHYLENE-5-((2E)-2-(2-OXO-3(2H)-FURANYLIDENE)ETHYL)-1-NAPHTHALENYL)METHYL) ESTER

Common Name

English

Code System Code Type Description

CAS

225237-57-0

Created by admin on Sat Dec 16 14:46:42 GMT 2023 , Edited by admin on Sat Dec 16 14:46:42 GMT 2023

PRIMARY

PUBCHEM

72941912

Created by admin on Sat Dec 16 14:46:42 GMT 2023 , Edited by admin on Sat Dec 16 14:46:42 GMT 2023

PRIMARY

FDA UNII

0VH807VAD9

Created by admin on Sat Dec 16 14:46:42 GMT 2023 , Edited by admin on Sat Dec 16 14:46:42 GMT 2023

PRIMARY

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SALT/SOLVATE -> PARENT

Amount: