N-nitroso-desmethyl-spinosad factor a

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H62N2O11
Molecular Weight	746.9271
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-nitroso-desmethyl-spinosad factor a

Structure Search

SMILES

CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)N=O)[C@@H](C)C(=O)C3=C[C@H]4[C@@H]5C[C@@H](C[C@H]5C=C[C@H]4[C@@H]3CC(=O)O1)O[C@@H]6O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]6OC

InChI

InChIKey=CXWWBUUAKSHTSZ-KXRJSVEISA-N

InChI=1S/C40H62N2O11/c1-9-25-11-10-12-33(53-35-16-15-32(22(3)49-35)42(5)41-45)21(2)36(44)31-19-29-27(30(31)20-34(43)51-25)14-13-24-17-26(18-28(24)29)52-40-39(48-8)38(47-7)37(46-6)23(4)50-40/h13-14,19,21-30,32-33,35,37-40H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H62N2O11
Molecular Weight	746.9271
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:20:07 GMT 2025` Edited by `admin` on `Wed Apr 02 18:20:07 GMT 2025`
Record UNII	CZ42648LBV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-nitroso-desmethyl-spinosad factor a

Common Name

English

1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-2,3,4-tri-O-methyl-?-L-mannopyranosyl)oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-13-[[(2R,5S,6R)-tetrahydro-6-methyl-5-(methylnitrosoamino)-2H-pyran-2-yl]oxy]

Preferred Name

English

(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-2,3,4-tri-O-methyl-?-L-mannopyranosyl)oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-13-[[(2R,5S,6R)-tetrahydro-6-methyl-5-(methylnitrosoamino)-2H-pyran-2-yl]oxy]-1H-as-inda

Systematic Name

English

Code System Code Type Description

FDA UNII

CZ42648LBV

Created by admin on Wed Apr 02 18:20:07 GMT 2025 , Edited by admin on Wed Apr 02 18:20:07 GMT 2025

PRIMARY

PUBCHEM

171390043

Created by admin on Wed Apr 02 18:20:07 GMT 2025 , Edited by admin on Wed Apr 02 18:20:07 GMT 2025

PRIMARY

CAS

252575-85-2

Created by admin on Wed Apr 02 18:20:07 GMT 2025 , Edited by admin on Wed Apr 02 18:20:07 GMT 2025

PRIMARY

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Spinosad

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