DULCOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H60O17
Molecular Weight	788.8728
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
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[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O

InChI

InChIKey=CANAPGLEBDTCAF-NTIPNFSCSA-N

InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H60O17
Molecular Weight	788.8728
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:24:28 UTC 2023` Edited by `admin` on `Sat Dec 16 08:24:28 UTC 2023`
Record UNII	BV1X94PJ0P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DULCOSIDE A

Common Name

English

DULCOSIDE A, (-)-

Common Name

English

DUL

Common Name

English

(-)-DULCOSIDE A

Common Name

English

KAUR-16-EN-18-OIC ACID, 13-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-

Systematic Name

English

Code System Code Type Description

SMS_ID

100000182008