Rutundic Acid

CAS
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CAS
20137-37-5
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Purity
98%
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Catalog Number

ACM20137375

Product Name

Rutundic Acid

CAS

20137-37-5

Category

Heterocyclic Organic Compound

Synonyms

3β,19α,23-Trihydroxyurs-12-ene-28-oic acid

IUPAC Name

(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Weight

488.7

Molecular Formula

C30H48O5

Canonical SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

InChI

InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1

InChI Key

YLHQFGOOMKJFLP-LTFXOGOQSA-N

Boiling Point

622.8±55.0 °C

Melting Point

272-274 °C

Density

1.19 g/ml

Appearance

Powder

pKa

4.47±0.70