[3-[4-Acetyloxy-5-[4-acetyloxy-5-(4,5-diacetyloxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-

CAS

27071-80-3

Catalog Number

ACM27071803

Category

Other Products

Molecular Weight

991.122 g/mol

Molecular Formula

C₅₁H₇₄O₁₉

MSDS COA Spec Sheet

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Specification

Synonyms

Pengitoxin, Cordoval, Pentagit, Carnacid-cor, Pengitossina, Pengitoxina, Pengitoxine, Pengitoxinum, Pentaacetylgitoxin, Gitoxin pentaacetate, Penta-O-acetylgitoxin, Pengitossina [DCIT], Pengitoxin [INN], Gitoxin, pentaacetate, Pengitoxine [INN-French], Pengitoxinum [INN-Latin], Pengitoxina [INN-Spanish], EINECS 230-645-5, CID65593, C49H72O16

IUPAC Name

[3-[4-acetyloxy-5-(4,5-diacetyloxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-[[16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] acetate

Canonical SMILES

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI Key

JDYLJSDIEBHXPO-UHFFFAOYSA-N

EC Number

230-645-5

H-Bond Acceptor

H-Bond Donor