10-DEACETYL-7-EPIPACLITAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H49NO13
Molecular Weight	811.8712
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

CC1=C2[C@]([H])(C(=O)[C@]3(C)[C@@]([H])(C[C@]4([H])[C@@](CO4)([C@@]3([H])[C@@]([H])([C@](C[C@]1([H])OC(=O)[C@@]([H])([C@]([H])(c5ccccc5)N=C(c6ccccc6)O)O)(C2(C)C)O)OC(=O)c7ccccc7)OC(=O)C)O)O

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	811.8712
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 Jun 26 02:44:39 UTC 2021` Edited by `admin` on `Sat Jun 26 02:44:39 UTC 2021`
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

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

PACLITAXEL RELATED COMPOUND B [USP-RS]

Common Name

English

Code System Code Type Description

CAS

78454-17-8

Created by admin on Sat Jun 26 02:44:39 UTC 2021 , Edited by admin on Sat Jun 26 02:44:39 UTC 2021

PRIMARY

USP_CATALOG

1491354

Created by admin on Sat Jun 26 02:44:39 UTC 2021 , Edited by admin on Sat Jun 26 02:44:39 UTC 2021

PRIMARY

USP-RS

FDA UNII

PF8TD9Q8G5

Created by admin on Sat Jun 26 02:44:39 UTC 2021 , Edited by admin on Sat Jun 26 02:44:39 UTC 2021

PRIMARY

PUBCHEM

14355298

Created by admin on Sat Jun 26 02:44:39 UTC 2021 , Edited by admin on Sat Jun 26 02:44:39 UTC 2021

PRIMARY

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