NARGENICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37NO8
Molecular Weight	515.5953
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C=C[C@]3([H])C[C@H](OC)C(=O)O[C@]([H])([C@@H](C)O)[C@H](C)\C=C(C)\[C@]34O[C@H]1[C@H](OC(=O)C5=CC=CN5)[C@H](C)[C@@H](O)[C@]24[H]

InChI

InChIKey=YEUSSARNQQYBKH-SIMZXIQRSA-N

InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H37NO8
Molecular Weight	515.5953
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:36:51 UTC 2023` Edited by `admin` on `Sat Dec 16 12:36:51 UTC 2023`
Record UNII	XP2QP458K4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NARGENICIN

Common Name

English

CS682

Code

English

NSC-355066

Code

English

CS-682 (NARGENICIN)

Code

English

CP-47444

Code

English

NARGENICIN A1

Common Name

English

1H-Pyrrole-2-carboxylic acid, (1E,3R,4S,7S,8aS,10aR,11R,12R,13R,14R,14aS,14bS)-3,4,6,7,8,8a,10a,11,12,13,14,14a-dodecahydro-14-hydroxy-4-[(1R)-1-hydroxyethyl]-7-methoxy-1,3,13-trimethyl-6-oxo-11,14b-epoxy-14bH-naphth[2,1-e]oxecin-12-yl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

XP2QP458K4