Sodium surfactin B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H89N7O13.2Na
Molecular Weight	1066.2817
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1

InChI

InChIKey=JGJHVDZNUZRRTI-FRYXLNQLSA-L

InChI=1S/C52H91N7O13.2Na/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35;;/h30-41,45H,12-29H2,1-11H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64);;/q;2*+1/p-2/t35-,36+,37+,38-,39-,40+,41+,45+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C52H89N7O13
Molecular Weight	1020.3022
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:46:27 GMT 2025` Edited by `admin` on `Wed Apr 02 19:46:27 GMT 2025`
Record UNII	2B2T6MWC5D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium surfactin B2

Preferred Name

English

Code System Code Type Description

CAS

2300929-44-4

Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

2B2T6MWC5D

Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025

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PUBCHEM

171390194

Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025

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