O-CINNAMOYLTAXICIN-I TRIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H42O10
Molecular Weight	622.702
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of O-CINNAMOYLTAXICIN-I TRIACETATE

Structure Search

SMILES

[H][C@]12[C@H](OC(C)=O)[C@]3(O)CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C2=C)C3(C)C

InChI

InChIKey=VBLNERPSGWCFQJ-NINUBRFRSA-N

InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3/b15-14+/t26-,29-,30+,31-,32-,34+,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H42O10
Molecular Weight	622.702
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:37 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:37 GMT 2023`
Record UNII	90GH5S97P8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-CINNAMOYLTAXICIN-I TRIACETATE

Common Name

English

2-PROPENOIC ACID, 3-PHENYL-, (3S,4AR,5S,6S,11R,12R,12AR)-5,11,12-TRIS(ACETYLOXY)-1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-6-HYDROXY-9,12A,13,13-TETRAMETHYL-4-METHYLENE-8-OXO-6,10-METHANOBENZOCYCLODECEN-3-YL ESTER, (2E)-

Systematic Name

English

1-HYDROXYTAXININE

Common Name

English

5-CINNAMOYLTAXICIN I 2,9,10-TRIACETATE

Common Name

English

O-CINNAMOYLTAXICIN-I TRIACETATE [MI]

Common Name

English

TAXICIN I, TRIACETATE, CINNAMATE

Common Name

English

CINNAMIC ACID, 5-ESTER WITH TAXICIN I, 2,9,10-TRIACETATE

Common Name

English

Code System Code Type Description

FDA UNII

90GH5S97P8

Created by admin on Sat Dec 16 11:00:37 GMT 2023 , Edited by admin on Sat Dec 16 11:00:37 GMT 2023

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CAS

13452-36-3

Created by admin on Sat Dec 16 11:00:37 GMT 2023 , Edited by admin on Sat Dec 16 11:00:37 GMT 2023

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MERCK INDEX

m10484

Created by admin on Sat Dec 16 11:00:37 GMT 2023 , Edited by admin on Sat Dec 16 11:00:37 GMT 2023

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Merck Index

PUBCHEM

5315909

Created by admin on Sat Dec 16 11:00:37 GMT 2023 , Edited by admin on Sat Dec 16 11:00:37 GMT 2023

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