Inundoside E

cas: 80244-83-3 — see every product listed under this CAS number, including other names

Inundoside E (CAS 80244-83-3) is a chemical reagent available from Chemat. Available pack sizes: 5mg, Get quote. Offered by: GLPBio, MedChemExpress.

brandGLPBio
catalog numberGF10699-5mg
cas80244-83-3
size5mg
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properties

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Structural formula: {0} (CAS {1})

(2S,3R,4S,5S)-2-[[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl]oxy]oxane-3,4,5-triol (CAS 80244-83-3) is a chemical compound with the molecular formula C35H58O6 and a molecular weight of 574.8 g/mol. IUPAC name: (2S,3R,4S,5S)-2-[[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl]oxy]oxane-3,4,5-triol. InChIKey: KYUUSTRQNQMKJQ-PFDDXGKDSA-N.

Identity
Molecular formulaC35H58O6
Molecular weight574.8 g/mol
IUPAC name(2S,3R,4S,5S)-2-[[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl]oxy]oxane-3,4,5-triol
InChIKeyKYUUSTRQNQMKJQ-PFDDXGKDSA-N
SMILESC[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@@H](C3(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Inundoside E, orb1680414
Isomers (same molecular formula)
(2R,5S)-2-[[(3S,8S,9R,10R,13R,14R,17R)-17-[(2S,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6

Also listed as

Inundoside E MedChemExpress CAS 80244-83-3