N-Methyltaxol C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H59NO14
Molecular Weight	861.9697
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC(=O)N(C)[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C6=CC=CC=C6

InChI

InChIKey=LJTMOSWWGSCCPR-AMMYIWEDSA-N

InChI=1S/C47H59NO14/c1-9-10-13-22-34(52)48(8)36(29-18-14-11-15-19-29)37(53)43(56)60-31-24-47(57)41(61-42(55)30-20-16-12-17-21-30)39-45(7,32(51)23-33-46(39,25-58-33)62-28(4)50)40(54)38(59-27(3)49)35(26(31)2)44(47,5)6/h11-12,14-21,31-33,36-39,41,51,53,57H,9-10,13,22-25H2,1-8H3/t31-,32-,33+,36-,37+,38+,39-,41-,45+,46-,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H59NO14
Molecular Weight	861.9697
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:09:53 GMT 2025` Edited by `admin` on `Wed Apr 02 15:09:53 GMT 2025`
Record UNII	YR4XZ25D5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-methylpaclitaxel C

Preferred Name

English

N-Methyltaxol C

Common Name

English

4,10?-bis(acetyloxy)-13?-[[(2R,3S)-3-[hexanoyl(methyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy]-1,7?-dihydroxy-9-oxo-5?,20-epoxytax-11-en-2?-yl benzoate

Systematic Name

English

PACLITAXEL IMPURITY F [EP IMPURITY]

Common Name

English

Benzenepropanoic acid, ?-hydroxy-?-[methyl(1-oxohexyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901347701