BORRELIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H43NO6
Molecular Weight	489.6441
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)C(=C\C=C\C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]2CCC[C@H]2C(O)=O)C#N

InChI

InChIKey=OJCKRNPLOZHAOU-UGKRXNSESA-N

InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H43NO6
Molecular Weight	489.6441
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 `Wed Apr 02 12:05:51 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:51 GMT 2025`
Record UNII	PWC22KGM2P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

B-3061

Preferred Name

English

BORRELIDIN

Common Name

English

(-)-BORRELIDIN

Common Name

English

CYCLOPENTANECARBOXYLIC ACID, 2-(7-CYANO-8,16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18-OXOOXACYCLOOCTADECA-4,6-DIEN-2-YL)-, (2S-(2R*(1S*,2S*),4E,6Z,8S*,9R*,11S*,13R*,15R*,16R*))-

Systematic Name

English

NSC-216128

Code

English

BORRELIDIN A

Common Name

English

TREPONEMYCIN

Common Name

English

(1R,2R)-2-((2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18-OXOOXACYCLOOCTADECA-4,6-DIEN-2-YL)CYCLOPENTANECARBOXYLIC ACID

Systematic Name

English

CYCLOPENTANECARBOXYLIC ACID, 2-((2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18-OXOOXACYCLOOCTADECA-4,6-DIEN-2-YL)-, (1R,2R)-

Systematic Name

English

BORRELIDINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID301043878