PYROCALCIFEROL 3,5-DINITROBENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H46N2O6
Molecular Weight	590.7495
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PYROCALCIFEROL 3,5-DINITROBENZOATE

Structure Search

SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@@]4(C)[C@H]3CC[C@]12C)OC(=O)C5=CC(=CC(=C5)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ZLVWWOPHWGBVTH-BLSCZQLXSA-N

InChI=1S/C35H46N2O6/c1-21(2)22(3)7-8-23(4)30-11-12-31-29-10-9-25-19-28(13-15-34(25,5)32(29)14-16-35(30,31)6)43-33(38)24-17-26(36(39)40)20-27(18-24)37(41)42/h7-10,17-18,20-23,28,30-32H,11-16,19H2,1-6H3/b8-7+/t22-,23+,28-,30+,31-,32-,34+,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H46N2O6
Molecular Weight	590.7495
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:23 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:23 GMT 2025`
Record UNII	468MKM61AR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYROCALCIFEROL 3,5-DINITROBENZOATE (ESTER)

Preferred Name

English

PYROCALCIFEROL 3,5-DINITROBENZOATE

Common Name

English

ERGOSTA-5,7,22-TRIEN-3-OL, 3,5-DINITROBENZOATE, (3.BETA.,10.ALPHA.,22E)-

Systematic Name

English

PYROCALCIFEROL 3,5-DINITROBENZOATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

72710714