ZYGADENINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C27H43NO7.H2O4S
Molecular Weight	1085.344
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 30
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12C[C@]34O[C@]5(O)[C@@H](O)CC[C@@]3(C)[C@]5([H])CC[C@@]4([H])[C@]1(O)[C@@H](O)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O.[H][C@@]89C[C@]%10%11O[C@]%12(O)[C@@H](O)CC[C@@]%10(C)[C@]%12([H])CC[C@@]%11([H])[C@]8(O)[C@@H](O)[C@H](O)[C@@]%13([H])[C@@]9([H])CN%14C[C@@H](C)CC[C@@]%14([H])[C@@]%13(C)O

InChI

InChIKey=YPAJGOCQEAQTCD-AJZQAINCSA-N

InChI=1S/2C27H43NO7.H2O4S/c2*1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25;1-5(2,3)4/h2*13-22,29-34H,4-12H2,1-3H3;(H2,1,2,3,4)/t2*13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H43NO7
Molecular Weight	493.6328
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:01:26 GMT 2023` Edited by `admin` on `Sat Dec 16 01:01:26 GMT 2023`
Record UNII	B71E6GMQ0V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZYGADENINE SULFATE

Common Name

English

CEVANE-3,4,14,15,16,20-HEXOL, 4,9-EPOXY-, (3.BETA.,4.ALPHA.,15.ALPHA.,16.BETA.)-, SULFATE (2:1) (SALT)

Systematic Name

English

ZYGADENINE SULFATE [MI]

Common Name

English

Code System Code Type Description

CAS

5970-58-1

Created by admin on Sat Dec 16 01:01:26 GMT 2023 , Edited by admin on Sat Dec 16 01:01:26 GMT 2023

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FDA UNII

B71E6GMQ0V

Created by admin on Sat Dec 16 01:01:26 GMT 2023 , Edited by admin on Sat Dec 16 01:01:26 GMT 2023

PRIMARY

PUBCHEM

90478703

Created by admin on Sat Dec 16 01:01:26 GMT 2023 , Edited by admin on Sat Dec 16 01:01:26 GMT 2023

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MERCK INDEX

m540

Created by admin on Sat Dec 16 01:01:26 GMT 2023 , Edited by admin on Sat Dec 16 01:01:26 GMT 2023

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Merck Index

Related Record Type Details


					0N72U4OAF7

ZYGADENINE

PARENT -> SALT/SOLVATE