MARINOBUFAGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O5
Molecular Weight	400.5079
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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[C@H]5O[C@@]245)C6=COC(=O)C=C6

InChI

InChIKey=JMNQTHQLNRILMH-OBBGIPBRSA-N

InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O5
Molecular Weight	400.5079
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:11:44 GMT 2023` Edited by `admin` on `Sat Dec 16 11:11:44 GMT 2023`
Record UNII	3KBT25GV2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MARINOBUFAGENIN

Common Name

English

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

Systematic Name

English

NSC-234205

Code

English

Code System Code Type Description

WIKIPEDIA

Marinobufagenin