BATRACHOTOXININ A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H35NO5
Molecular Weight	417.5384
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]45O[C@]6(O)CC[C@@]4(C)[C@H](CC=C35)C6

InChI

InChIKey=ZKCSFQZJDZSMCH-IGLVISNFSA-N

InChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3/t15-,16+,19+,20-,21-,22+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H35NO5
Molecular Weight	417.5384
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 `Mon Mar 31 22:20:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:21 GMT 2025`
Record UNII	962FMM1ISF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BATRACHOTOXININ A [MI]

Preferred Name

English

BATRACHOTOXININ A

Common Name

English

7H-9,11B-EPOXY-13A,5A-PROPENOPHENANTHRO(2,1-F)(1,4)OXAZEPINE-9,12(8H)-DIOL, 1,2,3,4,7A,10,11,11A,12,13-DECAHYDRO-14-((1S)-1-HYDROXYETHYL)-2,11A-DIMETHYL-, (5AR,7AR,9R,11AS,11BS,12R,13AR)-

Systematic Name

English

(5AR-(5A.ALPHA.,7A.BETA.,9.ALPHA.,11A.BETA.,11B.ALPHA.,12.ALPHA.,13A.ALPHA.,14(S*)))-1,2,3,4,7A,10,11,11A,12,13-DECAHYDRO-14-(1-HYDROXYETHYL)-2,11A-DIMETHYL-7H-9,11B-EPOXY-13A,5A-PROPENOPHENANTHRO(2,1-F)(1,4)OXAZEPINE-9,12(8H)-DIOL

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m2277