3,4-DEHYDRO-5S-CARBOXYSTRICTOSIDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32N2O11
Molecular Weight	572.5605
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DEHYDRO-5S-CARBOXYSTRICTOSIDINE

Structure Search

SMILES

[H][C@@]4(CC1=N[C@@H](CC2=C1NC3=C2C=CC=C3)C(O)=O)C(=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])C=C)C(=O)OC

InChI

InChIKey=SLKJMXHSQYQASX-LCWNDDCVSA-N

InChI=1S/C28H32N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,19-20,22-24,27-28,30-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,19+,20-,22-,23+,24-,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H32N2O11
Molecular Weight	572.5605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:30 UTC 2023` Edited by `admin` on `Sat Dec 16 18:51:30 UTC 2023`
Record UNII	X8JCY8X4GN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DEHYDRO-5S-CARBOXYSTRICTOSIDINE

Common Name

English

(3S)-1-(((2S,3R,4S)-3-ETHENYL-5-METHOXYCARBONYL-2-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY-3,4-DIHYDRO-2H-PYRAN-4-YL)METHYL)-4,9-DIHYDRO-3H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID

Systematic Name

English

3H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 1-(((2S,3R,4S)-3-ETHENYL-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2H-PYRAN-4-YL)METHYL)-4,9-DIHYDRO-, (3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

X8JCY8X4GN

Created by admin on Sat Dec 16 18:51:30 UTC 2023 , Edited by admin on Sat Dec 16 18:51:30 UTC 2023

PRIMARY

PUBCHEM

135415249

Created by admin on Sat Dec 16 18:51:30 UTC 2023 , Edited by admin on Sat Dec 16 18:51:30 UTC 2023

PRIMARY

CAS

310433-82-0

Created by admin on Sat Dec 16 18:51:30 UTC 2023 , Edited by admin on Sat Dec 16 18:51:30 UTC 2023

PRIMARY

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