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Accessed:

Escin IB

Molecular formula:C55H86O24
Average mass:1131.269
Monoisotopic mass:1130.550904
ChemSpider ID:4977652

27 of 27 defined stereocenters

Double-bond stereo

Structural identifiers
  • Names
Names and synonyms
Verified

(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid

[IUPAC name – generated by ACD/Name]

(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronsä ure

[German]

[IUPAC name – generated by ACD/Name]

(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid

2-Butenoic acid, 2-methyl-, (3β,16α,21β,22α)-22-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,24,28-trihydroxyolean-12 -en-21-yl ester, (2Z)-

[Index name – generated by ACD/Name]

2-butenoic acid, 2-methyl-, (3β,16α,21β,22α)-22-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,24,28-trihydroxyolean-12-en-21-yl ester, (2Z)-

26339-90-2

[RN]

Acide β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronique de (3β,16α,21β,22α)-22-acétoxy-16,24,28-trihydroxy-21-{[(2Z)-2-méthyl-2-butenoyl]oxy}oléan -12-én-3-yle

[French]

[IUPAC name – generated by ACD/Name]

Aescin

AESCIN IB(SH)

Escin IB

Escin-IB

QYK0D6H79O

Unverified

(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((Z)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

(3b,16a,21b,22a)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl b-D-glucopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->4)]-b-D-glucopyranosiduronic acid

1 mg

123748-68-5

[RN]

2-Butenoic acid, 2-methyl-, (3β,4β,16α,21β,22α)-22-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,23,28-trihydroxyolean-12-en-21-yl ester, (2Z)-

6805-41-0

[RN]

Aescin

[German]

Aescin B

Aescin IA

AESCIN IB

aescinb

Cayman

Cyclic triterpenoid;escine Ib

Escin

EscinI B

MFCD10566622

[MDL number]

OPINO

β-ESCIN

Database IDs