Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI)
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![Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/843e045e07a742cbab8e6327e102c07a.png "Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI)")
Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI)
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CAS No:
100009-97-0
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Formula:
C66H102O14
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Chemical Name:
Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI)
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Synonyms:
24-O-beta-D-Glucopyranosyl officigenin;100009-97-0;Olean-12-ene-28,29-dioic acid, 24-(beta-D-glucopyranosyloxy)-3-hydroxy-, 29-((3beta,20alpha)-17-carboxy-3-oxo-28-norolean-12-en-29-yl) ester, (3beta,4beta,20alpha)-
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CAS No:
Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI) Basic Attributes
1119.5 g/mol
1118.72695792 g/mol
Computed Properties
Molecular Weight:1119.5
XLogP3:9.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:1118.72695792
Monoisotopic Mass:1118.72695792
Topological Polar Surface Area:241
Heavy Atom Count:80
Complexity:2560
Undefined Atom Stereocenter Count:24
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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