TINYATOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H38O8
Molecular Weight	598.6821
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12O[C@]4(CC3=CC=CC=C3)O[C@]1(C[C@@H](C)[C@]5(O4)[C@]6([H])C=C(C)C(=O)[C@@]6(O)CC(COC(=O)CC7=CC=C(O)C=C7)=C[C@@]25[H])C(C)=C

InChI

InChIKey=WWZMXEIBZCEIFB-ACAXUWNGSA-N

InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H38O8
Molecular Weight	598.6821
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 `Fri Dec 15 15:47:40 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:40 GMT 2023`
Record UNII	WN080Z1OL0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TINYATOXIN

Common Name

English

BENZENEACETIC ACID, 4-HYDROXY-, ((2S,3AR,3BS,6AR,9AS,9BR,10R,11AR)-3A,3B,6,6A,9A,10,11,11A-OCTAHYDRO-6A-HYDROXY-8,10-DIMETHYL-11A-(1-METHYLETHENYL)-7-OXO-2-(PHENYLMETHYL)-7H-2,9B-EPOXYAZULENO(5,4-E)-1,3-BENZODIOXOL-5-YL)METHYL ESTER

Systematic Name

English

DAPHNETOXIN, 6,7-DEEPOXY-6,7-DIDEHYDRO-5-DEOXY-21-DEPHENYL-21-(PHENYLMETHYL)-, 20-(4-HYDROXYBENZENEACETATE)

Common Name

English

Code System Code Type Description

CAS

58821-95-7