9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O8S
Molecular Weight	430.512
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Structure Search

SMILES

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

InChI

InChIKey=CSRMQJYCEWECBJ-UOWHFJIKSA-N

InChI=1S/C20H30O8S/c1-12-4-7-16-19(2,14(12)6-5-13-15(21)10-27-18(13)23)9-8-17(22)20(16,3)11-28-29(24,25)26/h5,15-17,21-22H,4,6-11H2,1-3H3,(H,24,25,26)/b13-5+/t15-,16+,17-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H29O8S
Molecular Weight	429.504
Charge	-1
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 15:34:51 GMT 2023` Edited by `admin` on `Sat Dec 16 15:34:51 GMT 2023`
Record UNII	558UQ5T459
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

Common Name

English

Code System Code Type Description

CAS

911206-67-2

Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023

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PUBCHEM

72191955

Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023

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FDA UNII

558UQ5T459

Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023

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SODIUM 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

SALT/SOLVATE -> PARENT