O-CINNAMOYLTAXICIN-I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H36O7
Molecular Weight	496.5919
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C2[C@@H](O)[C@H](O)[C@]3(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(=C)[C@H]3[C@H](O)[C@](O)(CC1=O)C2(C)C

InChI

InChIKey=LMHMWINKBZRNRU-PDBYPBKASA-N

InChI=1S/C29H36O7/c1-16-19(30)15-29(35)25(33)23-17(2)20(36-21(31)12-11-18-9-7-6-8-10-18)13-14-28(23,5)26(34)24(32)22(16)27(29,3)4/h6-12,20,23-26,32-35H,2,13-15H2,1,3-5H3/b12-11+/t20-,23-,24+,25-,26-,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H36O7
Molecular Weight	496.5919
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 `Mon Mar 31 23:00:49 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:49 GMT 2025`
Record UNII	7IR97P1VXE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5.ALPHA.-CINNAMOYLTAXICIN I

Preferred Name

English

O-CINNAMOYLTAXICIN-I

Common Name

English

TAXICIN I, O-CINNAMOYL-

Common Name

English

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

Systematic Name

English

TAXICIN I, MONOCINNAMATE

Common Name

English

O-CINNAMOYLTAXICIN-I [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m10484

Created by admin on Mon Mar 31 23:00:49 GMT 2025 , Edited by admin on Mon Mar 31 23:00:49 GMT 2025

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Merck Index

FDA UNII

7IR97P1VXE

Created by admin on Mon Mar 31 23:00:49 GMT 2025 , Edited by admin on Mon Mar 31 23:00:49 GMT 2025

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PUBCHEM

5315908

Created by admin on Mon Mar 31 23:00:49 GMT 2025 , Edited by admin on Mon Mar 31 23:00:49 GMT 2025

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CAS

11034-45-0

Created by admin on Mon Mar 31 23:00:49 GMT 2025 , Edited by admin on Mon Mar 31 23:00:49 GMT 2025

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