GRAYANOTOXIN VII

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O4
Molecular Weight	334.4498
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]34C=C(C)[C@H](CC[C@@]3([H])C2=C)[C@H]4O

InChI

InChIKey=GIUXMMHBAIUPAN-RELJXXFQSA-N

InChI=1S/C20H30O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14-,15-,16+,17+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O4
Molecular Weight	334.4498
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:43 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:43 GMT 2023`
Record UNII	79JEO8F2C2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRAYANOTOXIN VII

Common Name

English

GRAYANOTOXA-10(20),15-DIENE-3,5,6,14-TETROL, (3.BETA.,6.BETA.,14R)-

Common Name

English

PRINCIPINOL E

Common Name

English

7,9A-METHANO-9AH-CYCLOPENTA(B)HEPTALENE-2,11,11A,12(1H)-TETROL, 2,3,3A,4,4A,5,6,7,10,11-DECAHYDRO-1,1,8-TRIMETHYL-4-METHYLENE-, (2S,3AS,4AS,7S,9AS,11R,11AR,12R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

101643282

Created by admin on Sat Dec 16 08:01:43 GMT 2023 , Edited by admin on Sat Dec 16 08:01:43 GMT 2023

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CAS

30460-59-4

Created by admin on Sat Dec 16 08:01:43 GMT 2023 , Edited by admin on Sat Dec 16 08:01:43 GMT 2023

PRIMARY

EPA CompTox

DTXSID40952791

Created by admin on Sat Dec 16 08:01:43 GMT 2023 , Edited by admin on Sat Dec 16 08:01:43 GMT 2023

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FDA UNII

79JEO8F2C2

Created by admin on Sat Dec 16 08:01:43 GMT 2023 , Edited by admin on Sat Dec 16 08:01:43 GMT 2023

PRIMARY