Chrysanthellin a

CAS

73039-13-1

Catalog Number

ACM73039131

Category

Other Products

Molecular Weight

1191.35

Molecular Formula

C₅₈H₉₄O₂₅

MSDS COA Spec Sheet

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Specification

Synonyms

CHRYSANTHELLIN A;PENTASACCHARIDE OF ECHINOCYSTIC ACID;Olean-12-en-28-oic acid, 3-(beta-d-glucopyranosyloxy)-16-hydroxy-, O-6-deoxy-alpha-l-mannopyranosyl-(1->3)-O-beta-d-xylopyranosyl-(1->4)-O-6-deoxy-alpha-l-mannopyranosyl-(1->2)-alpha-d-xylopyranosyl e

IUPAC Name

[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,1

Canonical SMILES

CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)C)O)O)O)O

InChI Key

IBEZGTWSSFFKNB-UHFFFAOYSA-N

Melting Point

209-225ºC

Density

1.47g/cm³

EC Number

277-245-7

Exact Mass

1190.61000

H-Bond Acceptor

H-Bond Donor