THEVETIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H66O19
Molecular Weight	874.962
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13CO[C@@]26COC(=O)C6)O[C@]7([H])O[C@@H](C)[C@H](O[C@]8([H])O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](OC)[C@@H]7O

InChI

InChIKey=GRAPNMOWHGCRLX-PPVIYJMXSA-N

InChI=1S/C42H66O19/c1-18-34(61-37-32(50)30(48)28(46)24(60-37)15-54-36-31(49)29(47)27(45)23(14-43)59-36)35(53-3)33(51)38(57-18)58-20-6-9-39(2)19(12-20)4-5-22-21(39)7-10-40-16-56-41(13-26(44)55-17-41)25(40)8-11-42(22,40)52/h18-25,27-38,43,45-52H,4-17H2,1-3H3/t18-,19+,20-,21-,22+,23+,24+,25-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H66O19
Molecular Weight	874.962
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	24 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:17:36 GMT 2023` Edited by `admin` on `Sat Dec 16 10:17:36 GMT 2023`
Record UNII	O1GYU8J4WO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEVETIN C

Common Name

English

CARDANOLIDE, 18,20-EPOXY-3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-, (3.BETA.,5.BETA.,20R)-

Systematic Name

English

18,20-OXIDO-20,22-DIHYDROTHEVETIN B

Common Name

English

Code System Code Type Description

PUBCHEM

101570752

Created by admin on Sat Dec 16 10:17:36 GMT 2023 , Edited by admin on Sat Dec 16 10:17:36 GMT 2023

PRIMARY

CAS

1357089-32-7

Created by admin on Sat Dec 16 10:17:36 GMT 2023 , Edited by admin on Sat Dec 16 10:17:36 GMT 2023

PRIMARY

FDA UNII

O1GYU8J4WO

Created by admin on Sat Dec 16 10:17:36 GMT 2023 , Edited by admin on Sat Dec 16 10:17:36 GMT 2023

PRIMARY