BUFOTALIN 3-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O7
Molecular Weight	486.5971
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C5=COC(=O)C=C5)[C@@]1(C)CC[C@@H](C2)OC(C)=O

InChI

InChIKey=NHHVQEFHQTULER-BJNYOQPHSA-N

InChI=1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21+,22-,23+,25+,26+,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O7
Molecular Weight	486.5971
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://books.google.ru/books?id=c6JmDAAAQBAJ&pg=PA203&lpg=PA203&dq=BUFOTALIN+ACETATE&source=bl&ots=xJh3E64bAA&sig=aqyJQ92x-N3LRb1RxeYwbrmBiXg&hl=ru&sa=X&ved=0ahUKEwipjI339c_WAhVDJVAKHWSeBjEQ6AEITTAH#v=onepage&q=BUFOTALIN%20ACETATE&f=false

Bufotailin acetate has garnered little to no interest as a pharmacologically active compound. However, it is used as a precursor in the synthesis of cinobyfagin and deacetylcinobufagin.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:42:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:42:47 GMT 2023`
Record UNII	69UUG5050T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUFOTALIN 3-ACETATE

Common Name

English

BUFA-20,22-DIENOLIDE, 3,16-BIS(ACETYLOXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-

Common Name

English

BUFOTALIN 3-ACETATE [MI]

Common Name

English

NSC-135689

Code

English

3-O-ACETYLBUFOTALIN

Common Name

English

3.BETA.,16.BETA.-DIACETOXY-14-HYDROXY-5.BETA.-BUFA-20,22-DIENOLIDE

Common Name

English

Code System Code Type Description

CAS

4029-69-0