Chemical Compound

(1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

CAS Registry Number 41679-97-4
(1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid chemical structure
Primary Record

(1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

In stock
3,218 g
Purity
99.4 %
CAS
41679-97-4

Compound Identifiers & Properties

CAS
41679-97-4
PubChem CID
154828438
SMILES
C[C@]12CCC[C@]([C@@H]1CC[C@@]34[C@@H]2CC[C@@](C3)(C(=C)C4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)(C)C(=O)O
Canonical SMILES
C=C1C[C@]23CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@H]2CC[C@@]1(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3

Names & Synonyms

  • (1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
  • 41679-97-4