RHODOJAPONIN I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H36O8
Molecular Weight	452.5378
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC(C)=O)[C@H]2CC[C@]3([H])[C@@]1(C[C@@]2(C)O)C[C@@H](OC(C)=O)[C@@]4(O)[C@@]([H])([C@@H]5O[C@@H]5C4(C)C)[C@]3(C)O

InChI

InChIKey=BQXZYRJBFJGDSL-PLZLAMROSA-N

InChI=1S/C24H36O8/c1-11(25)30-15-9-23-10-21(5,27)13(18(23)31-12(2)26)7-8-14(23)22(6,28)17-16-19(32-16)20(3,4)24(15,17)29/h13-19,27-29H,7-10H2,1-6H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H36O8
Molecular Weight	452.5378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:53:26 GMT 2023` Edited by `admin` on `Sat Dec 16 08:53:26 GMT 2023`
Record UNII	63HXC64W16
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RHODOJAPONIN I

Common Name

English

RHODOJAPONIN III 9,11-DIACETATE

Common Name

English

GRAYANOTOXANE-5,6,10,14,16-PENTOL, 2,3-EPOXY-, 6,14-DIACETATE, (2.BETA.,3.BETA.,6.BETA.,14R)-

Common Name

English

7,9A-METHANO-9AH-CYCLOPENTA(B)HEPTALENE-4,8,11,11A,12(1H)-PENTOL, 2,3-EPOXYDODECAHYDRO-1,1,4,8-TETRAMETHYL-, 11,12-DIACETATE, (2R,3S,3AS,4R,4AR,7R,8R,9AS,11R,11AR,12R)-

Systematic Name

English

Code System Code Type Description

CAS

26116-88-1

Created by admin on Sat Dec 16 08:53:26 GMT 2023 , Edited by admin on Sat Dec 16 08:53:26 GMT 2023

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PUBCHEM

101306700

Created by admin on Sat Dec 16 08:53:26 GMT 2023 , Edited by admin on Sat Dec 16 08:53:26 GMT 2023

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EPA CompTox

DTXSID40949005

Created by admin on Sat Dec 16 08:53:26 GMT 2023 , Edited by admin on Sat Dec 16 08:53:26 GMT 2023

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FDA UNII

63HXC64W16

Created by admin on Sat Dec 16 08:53:26 GMT 2023 , Edited by admin on Sat Dec 16 08:53:26 GMT 2023

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