Molecular formula: | C55H86O24 |
Average mass: | 1131.269 |
Monoisotopic mass: | 1130.550904 |
ChemSpider ID: | 4977652 |
27 of 27 defined stereocentres
Double-bond stereo
(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
[ACD/IUPAC 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]
[ACD/IUPAC 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)-
[ACD/Index 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]
[ACD/IUPAC Name]Aescin
AESCIN IB(SH)
Escin IB
Escin-IB
QYK0D6H79O
(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
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 IB
aescinb
Cyclic triterpenoid;escine Ib
Escin
EscinI B
MFCD10566622
[MDL number]OPINO
β-ESCIN