PINGBEININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H47NO3
Molecular Weight	445.6777
Optical Activity	( - )
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]2([C@H](C)[C@@]1([H])CC[C@](C)(O)CN1C)[C@@H](O)C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C

InChI

InChIKey=JTBAWWCDNDKCDH-HXVGSJFWSA-N

InChI=1S/C28H47NO3/c1-17(23-10-11-26(2,32)16-29(23)5)25-24(31)15-22-20-7-6-18-14-19(30)8-12-27(18,3)21(20)9-13-28(22,25)4/h6,17,19-25,30-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H47NO3
Molecular Weight	445.6777
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:07:10 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:10 GMT 2023`
Record UNII	37P8E5LJ3X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PINGBEININE

Common Name

English

(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2R,5R)-5-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Systematic Name

English

(-)-PINGBEININE

Common Name

English

16,28-SECOSOLANID-5-ENE-3,16,25-TRIOL, 28-METHYL-, (3.BETA.,16.BETA.,25.BETA.)-

Systematic Name

English

(3.BETA.,16.BETA.,20S)-20-((2S,5R)-5-HYDROXY-1,5-DIMETHYL-2-PIPERIDINYL)PREGN-5-ENE-3,16-DIOL

Systematic Name

English

PREGN-5-ENE-3,16-DIOL, 20-((2S,5R)-5-HYDROXY-1,5-DIMETHYL-2-PIPERIDINYL)-, (3.BETA.,16.BETA.,20S)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Pingbeinine