RUBUSOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H50O13
Molecular Weight	642.7316
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]4([H])[C@@](C)(CCC[C@@]24C)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=YWPVROCHNBYFTP-OSHKXICASA-N

InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H50O13
Molecular Weight	642.7316
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:42:10 UTC 2023` Edited by `admin` on `Sat Dec 16 01:42:10 UTC 2023`
Record UNII	TCV5K3M3GX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBUSOSIDE

Official Name

English

KAUR-16-EN-18-OIC ACID, 13-(.BETA.-D-GLUCOPYRANOSYLOXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-

Common Name

English

RUB

Common Name

English

RUBUSOSIDE [INCI]

Common Name

English

Code System Code Type Description

MESH

C056177