10-DEACETYL-7-EPIPACLITAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H49NO13
Molecular Weight	811.8695
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 10-DEACETYL-7-EPIPACLITAXEL

Structure Search

SMILES

[H][C@@]12C[C@@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=TYLVGQKNNUHXIP-DIYBZAJCSA-N

InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H49NO13
Molecular Weight	811.8695
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:54:32 UTC 2023` Edited by `admin` on `Sat Dec 16 14:54:32 UTC 2023`
Record UNII	PF8TD9Q8G5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-DEACETYL-7-EPIPACLITAXEL

Common Name

English

PACLITAXEL RELATED COMPOUND B

Preferred Name

English

4-(acetyloxy)-13α-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1,7α,10β-trihydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate

Systematic Name

English

PACLITAXEL IMPURITY H [EP IMPURITY]

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-(BENZOYLAMINO)-.ALPHA.-HYDROXY-, (2AR,4R,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)

Common Name

English

10-O-deacetyl-7-epi-paclitaxel

Common Name

English

PACLITAXEL RELATED COMPOUND B [USP-RS]

Common Name

English

Code System Code Type Description

CAS

78454-17-8