TAXINE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H47NO10
Molecular Weight	641.7484
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@H](O)C(=O)[C@@]3(C)CC(=C[C@@H]1OC(C)=O)[C@H](C[C@@H]3O)OC(=O)[C@H](O)[C@@H](N(C)C)C4=CC=CC=C4)C2(C)C

InChI

InChIKey=KOTXAHKUCAQPQA-MCBQMXOVSA-N

InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H47NO10
Molecular Weight	641.7484
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 `Sat Dec 16 09:04:03 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:03 GMT 2023`
Record UNII	ORV5NB1NST
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAXINE A

Common Name

English

NSC-674284

Code

English

(.ALPHA. R,.BETA. S)-.BETA.-(DIMETHYLAMINO)-.ALPHA.-HYDROXY BENZENEPROPANOIC ACID (1S, 2R, 3E, 5S, 7S, 8S, 10R, 13S)-2,13-BIS(ACETYLOXY)-7,10-DIHYDROXY-8,12,15,15-TETRAMETHYL-9-OXOTRICYCLO(9.3.1.1 4,8)HEXADECA-3,11-DIEN-5-YL ESTER

Systematic Name

English

TAXIN A

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-(DIMETHYLAMINO)-.ALPHA.-HYDROXY-, (1S,2R,3E,5S,7S,8S,10R,13S)-2,13-BIS(ACETYLOXY)-7,10-DIHYDROXY-8,12,15,15-TETRAMETHYL-9-OXOTRICYCLO(9.3.1.14,8)HEXADECA-3,11-DIEN-5-YL ESTER, (.ALPHA.R,.BETA.S)-

Systematic Name

English

TAXINE A, (-)-

Common Name

English

TAXINE A [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m10485