Taxcultine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H53NO14
Molecular Weight	819.8899
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)N[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=SXPIMOCRRJUHJY-MNLIZOKASA-N

InChI=1S/C44H53NO14/c1-8-15-31(49)45-33(26-16-11-9-12-17-26)34(50)40(53)57-28-21-44(54)38(58-39(52)27-18-13-10-14-19-27)36-42(7,29(48)20-30-43(36,22-55-30)59-25(4)47)37(51)35(56-24(3)46)32(23(28)2)41(44,5)6/h9-14,16-19,28-30,33-36,38,48,50,54H,8,15,20-22H2,1-7H3,(H,45,49)/t28-,29-,30+,33-,34+,35+,36-,38-,42+,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H53NO14
Molecular Weight	819.8899
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 17:18:32 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:32 GMT 2025`
Record UNII	9N2GMR6XKE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenepropanoic acid, ?-hydroxy-?-[(1-oxobutyl)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[3,4]benz

Preferred Name

English

Taxcultine

Common Name

English

Code System Code Type Description

PUBCHEM

3081898

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

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EPA CompTox

DTXSID80165323

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

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CAS

153415-46-4

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

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FDA UNII

9N2GMR6XKE

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

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