CINOBUFOTALIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34O7
Molecular Weight	458.544
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H]([C@@H](OC(C)=O)[C@H]5O[C@@]245)C6=COC(=O)C=C6

InChI

InChIKey=KBKUJJFDSHBPPA-ZNCGZLKOSA-N

InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H34O7
Molecular Weight	458.544
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:03:29 UTC 2023` Edited by `admin` on `Sat Dec 16 08:03:29 UTC 2023`
Record UNII	L0QBZ37386
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINOBUFOTALIN

Common Name

English

BUFA-20,22-DIENOLIDE, 16-(ACETYLOXY)-14,15-EPOXY-3,5-DIHYDROXY-, (3.BETA.,5.BETA.,15.BETA.,16.BETA.)-

Common Name

English

CINOBUFOTALIN [MI]

Common Name

English

Cinobufotalin [WHO-DD]

Common Name

English

NSC-90326

Code

English

CINOBUFAGIN METABOLITE M-2

Common Name

English

14,15.BETA.-EPOXY-3.BETA.,5,16.BETA.-TRIHYDROXY-5.BETA.-BUFA-20,22-DIENOLIDE 16-ACETATE

Common Name

English

(3.BETA.,5.BETA.,15.BETA.,16.BETA.)-16-(ACETYLOXY)-14,15-EPOXY-3,5-DIHYDROXYBUFA-20,22-DIENOLIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129986