DELTONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H72O17
Molecular Weight	885.043
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)O[C@]7([H])O[C@H](CO)[C@@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O

InChI

InChIKey=OLAMGHNQGZIWHZ-YIKYYZBWSA-N

InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H72O17
Molecular Weight	885.043
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:44 GMT 2023` Edited by `admin` on `Sat Dec 16 14:38:44 GMT 2023`
Record UNII	39Y54R152I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DELTONIN

Common Name

English

3-O-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701319158

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

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CAS

55659-75-1

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

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FDA UNII

39Y54R152I

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

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PUBCHEM

441884

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

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