echinocystic acid-3-O-sulfate
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echinocystic acid-3-O-sulfate
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CAS No:
152013-72-4
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Formula:
C30H48NaO7S+
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Chemical Name:
echinocystic acid-3-O-sulfate
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Synonyms:
echinocystic acid-3-O-sodium sulfate;echinocystic acid-3-O-sulfate;Echinocystic acid 3-O-sodium sulfate;16-Hydroxy-3-(sulfooxy)olean-12-en-28-oic acid monosodium salt, (3beta,16alpha)-;Olean-12-en-28-oic acid, 16-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,16alpha)-;sodium;(4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:575.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:575.30184432
Monoisotopic Mass:575.30184432
Topological Polar Surface Area:130
Heavy Atom Count:39
Formal Charge:1
Complexity:1150
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes