Taxusin, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O8
Molecular Weight	504.6124
Optical Activity	( + )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)C2(C)C

InChI

InChIKey=SKJSIVQEPKBFTJ-HUWILPJBSA-N

InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O8
Molecular Weight	504.6124
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
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	VHS5792RP7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Taxusin, (+)-

Common Name

English

(3beta,5beta,8alpha,9beta,10alpha,13beta)-5,10,13-tris(acetyloxy)taxa-4(20),11-dien-9-yl acetate

Systematic Name

English

(+)-TAXUSIN

Common Name

English

6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, TETRAACETATE, (3S-(3.ALPHA.,4A.ALPHA.,6.BETA.,8.ALPHA.,11.BETA.,12.ALPHA.,12A.BETA.))-

Systematic Name

English

(3S,4aR,6R,8S,11R,12R,12aR)-9,12a,13,13-Tetramethyl-4-methylidene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,8,11,12-tetrayl tetraacetate

Systematic Name

English

6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, TETRAACETATE, (3S,4AR,6R,8S,11R,12R,12AR)-

Systematic Name

English

TAXA-4(20),11-DIENE-5.ALPHA.,9.ALPHA.,10.BETA.,13.ALPHA.-TETROL, TETRAACETATE

Systematic Name

English

TAXUSIN

Common Name

English

6,10-METHANOBENZOCYCLODECENE-3,8,11,12-TETROL, 1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-, 3,8,11,12-TETRAACETATE, (3S,4AR,6R,8S,11R,12R,12AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

167825