10-Deacetylcephalomannine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H51NO13
Molecular Weight	789.8639
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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)C(\C)=C\C)C6=CC=CC=C6

InChI

InChIKey=ADDGUHVEJPNWQZ-GJKIWTKTSA-N

InChI=1S/C43H51NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31-34,36,46-48,53H,19-21H2,1-7H3,(H,44,50)/b22-8+/t27-,28-,29+,31-,32+,33+,34-,36-,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H51NO13
Molecular Weight	789.8639
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:54:54 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:54 GMT 2023`
Record UNII	9CC3GZ3AA2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-Deacetylcephalomannine

Common Name

English

10-Deacetyltaxol B

Common Name

English

Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 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]benz[1,2-b]oxet-9-yl ester,

Systematic Name

English

Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,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

Systematic Name

English

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2

Systematic Name

English

Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,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

Systematic Name

English

10β-Deacetylcephalomanine

Common Name

English

Code System Code Type Description

PUBCHEM

6440548

Created by admin on Sat Dec 16 19:54:54 GMT 2023 , Edited by admin on Sat Dec 16 19:54:54 GMT 2023

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FDA UNII

9CC3GZ3AA2

Created by admin on Sat Dec 16 19:54:54 GMT 2023 , Edited by admin on Sat Dec 16 19:54:54 GMT 2023

PRIMARY

CAS

76429-85-1

Created by admin on Sat Dec 16 19:54:54 GMT 2023 , Edited by admin on Sat Dec 16 19:54:54 GMT 2023

PRIMARY