Deoxyparguerol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H33BrO4
Molecular Weight	441.399
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@@H]3C[C@](C)(CC=C23)[C@@H](Br)CO)[C@@]4(C)C[C@@H]14

InChI

InChIKey=UVYAPBDOYMZESV-UCUHEJSZSA-N

InChI=1S/C22H33BrO4/c1-12(25)27-17-10-22(4)14-5-6-20(2,19(23)11-24)8-13(14)16(26)7-18(22)21(3)9-15(17)21/h5,13,15-19,24,26H,6-11H2,1-4H3/t13-,15+,16-,17-,18-,19+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H33BrO4
Molecular Weight	441.399
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:39:30 GMT 2025` Edited by `admin` on `Tue Apr 01 19:39:30 GMT 2025`
Record UNII	UET2D5J4U2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Deoxyparguerol

Common Name

English

NSC-341588

Preferred Name

English

1H-Cyclopropa[a]phenanthrene-3,9-diol, 5-(1-bromo-2-hydroxyethyl)-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1a,5,7b-trimethyl-, 9-acetate

Systematic Name

English

1H-Cyclopropa[a]phenanthrene-3,9-diol, 5-[(1R)-1-bromo-2-hydroxyethyl]-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1a,5,7b-trimethyl-, 9-acetate, (1aR,1bR,3R,3aR,5S,7bR,9R,9aR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

73628