HOMOBATRACHOTOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H44N2O6
Molecular Weight	552.7016
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC=C3[C@@]45CC=C([C@H](C)OC(=O)C6=C(CC)NC=C6C)[C@]4(C[C@@H](O)[C@@]37O[C@](O)(CC[C@@]17C)C2)CN(C)CCO5

InChI

InChIKey=PRSLQQJCHZFAHB-PZCWOAKJSA-N

InChI=1S/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3/t20-,21+,25+,28-,29-,30+,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H44N2O6
Molecular Weight	552.7016
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 08:50:36 GMT 2023` Edited by `admin` on `Sat Dec 16 08:50:36 GMT 2023`
Record UNII	1Q75I2OBI4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HOMOBATRACHOTOXIN

Common Name

English

HOMOBATRACHOTOXIN [MI]

Common Name

English

BATRACHOTOXININ A, 20-(2-ETHYL-4-METHYL-1H-PYRROLE-3-CARBOXYLATE)

Common Name

English

1H-PYRROLE-3-CARBOXYLIC ACID, 2-ETHYL-4-METHYL-, (1S)-1-((5AR,7AR,9R,11AS,11BS,12R,13AR)-1,2,3,4,7A,8,9,10,11,11A,12,13-DODECAHYDRO-9,12-DIHYDROXY-2,11A-DIMETHYL-7H-9,11B-EPOXY-13A,5A-PROPENOPHENANTHRO(2,1-F)(1,4)OXAZEPIN-14-YL)ETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

15559654