CALENDULOSIDE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H78O18
Molecular Weight	943.1221
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 23
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@H]1[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C5[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]45C)C(O)=O)C2(C)C)[C@@H]1O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=OGKRHYLZKFTGGO-RHFDSUMBSA-N

InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H78O18
Molecular Weight	943.1221
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 23
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:17:53 UTC 2023` Edited by `admin` on `Fri Dec 15 20:17:53 UTC 2023`
Record UNII	K5B114517J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALENDULOSIDE C

Common Name

English

OLEAN-12-EN-28-OIC ACID, 3-((O-.BETA.-D-GALACTOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (3.BETA.)-

Common Name

English

OSTEOSAPONIN 1

Common Name

English

ARVENSOSIDE D

Common Name

English

ELATEROSIDE B

Common Name

English

2'',28-DIDEGLUCOSYLOSTEOSAPONIN 2

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80206967

Created by admin on Fri Dec 15 20:17:53 UTC 2023 , Edited by admin on Fri Dec 15 20:17:53 UTC 2023

PRIMARY

CAS

58231-97-3

Created by admin on Fri Dec 15 20:17:53 UTC 2023 , Edited by admin on Fri Dec 15 20:17:53 UTC 2023

PRIMARY

PUBCHEM

71587192

Created by admin on Fri Dec 15 20:17:53 UTC 2023 , Edited by admin on Fri Dec 15 20:17:53 UTC 2023

PRIMARY

FDA UNII

K5B114517J

Created by admin on Fri Dec 15 20:17:53 UTC 2023 , Edited by admin on Fri Dec 15 20:17:53 UTC 2023

PRIMARY

Related Record Type Details


					P0M7O4Y7YD

CALENDULA OFFICINALIS FLOWER

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

CALENDULA OFFICINALIS FLOWER terpenoid