TAXAGIFINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44O13
Molecular Weight	696.7375
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@H](C[C@H](OC(=O)\C=C\C5=CC=CC=C5)C2=C)OC(C)=O

InChI

InChIKey=FQCUWQFKTUBVLA-PGBLWRDZSA-N

InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44O13
Molecular Weight	696.7375
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 17:00:30 GMT 2023` Edited by `admin` on `Sat Dec 16 17:00:30 GMT 2023`
Record UNII	H6F6Z86DFD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAXAGIFINE

Common Name

English

2-PROPENOIC ACID, 3-PHENYL-, 5,9,10,11-TETRAKIS(ACETYLOXY)TETRADECAHYDRO-11A-HYDROXY-1,3A,9A-TRIMETHYL-6-METHYLENE-13-OXO-1,4-ETHANOBENZO(5,6)CYCLOOCTA(1,2-C)FURAN-7-YL ESTER, (1S-(1.ALPHA.,3A.BETA.,4.ALPHA.,5.ALPHA.,5A.BETA.,7.ALPHA.(E),9.BETA.,9A.BETA.

Systematic Name

English

(1R,2R,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetrakis(acetyloxy)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0{2,15}.0{5,10}]heptadecan-8-yl (2E)-3-phenylprop-2-enoate

Systematic Name

English

TAXAGIFIN

Common Name

English

2-PROPENOIC ACID, 3-PHENYL-, (1S,3AR,4R,5R,5AR,7S,9S,9AS,10R,11S,11AR)-5,9,10,11-TETRAKIS(ACETYLOXY)TETRADECAHYDRO-11A-HYDROXY-1,3A,9A-TRIMETHYL-6-METHYLENE-13-OXO-1,4-ETHANOBENZO(5,6)CYCLOOCTA(1,2-C)FURAN-7-YL ESTER, (2E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

44316472