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

CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]56CO[C@@]7(COC(=O)C7)[C@H]5CC[C@]46O)C2)O[C@@H](C)[C@@H]1O[C@@H]8O[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

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 `Mon Mar 31 23:09:41 GMT 2025` Edited by `admin` on `Mon Mar 31 23:09:41 GMT 2025`
Record UNII	O1GYU8J4WO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEVETIN C

Common Name

English

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

Preferred 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

Code System Code Type Description

PUBCHEM

101570752

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

PRIMARY

CAS

1357089-32-7

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

PRIMARY

FDA UNII

O1GYU8J4WO

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

PRIMARY