TRI-O-ACETYL-CONVALLATOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H48O13
Molecular Weight	676.7478
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]6(O[C@H]1CC[C@]2(C=O)[C@@]3([H])CC[C@]4(C)[C@H](CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1)C5=CC(=O)OC5)O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]6OC(C)=O

InChI

InChIKey=JLYOTYOPXQVNIQ-TVSDMMFTSA-N

InChI=1S/C35H48O13/c1-18-28(45-19(2)37)29(46-20(3)38)30(47-21(4)39)31(44-18)48-23-6-11-33(17-36)25-7-10-32(5)24(22-14-27(40)43-16-22)9-13-35(32,42)26(25)8-12-34(33,41)15-23/h14,17-18,23-26,28-31,41-42H,6-13,15-16H2,1-5H3/t18-,23-,24+,25-,26+,28-,29+,30+,31-,32+,33-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H48O13
Molecular Weight	676.7478
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:19:00 GMT 2023` Edited by `admin` on `Sat Dec 16 02:19:00 GMT 2023`
Record UNII	F127YQ561P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRI-O-ACETYL-CONVALLATOXIN

Common Name

English

TRI-O-ACETYL-CONVALLATOXIN [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

131635038

Created by admin on Sat Dec 16 02:19:00 GMT 2023 , Edited by admin on Sat Dec 16 02:19:00 GMT 2023

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FDA UNII

F127YQ561P

Created by admin on Sat Dec 16 02:19:00 GMT 2023 , Edited by admin on Sat Dec 16 02:19:00 GMT 2023

PRIMARY