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  • (1r,2r,4As,6as,6as,6br,8ar,9r,10s,11r,12ar,14br)-1,10,11-trihydroxy-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

(1r,2r,4As,6as,6as,6br,8ar,9r,10s,11r,12ar,14br)-1,10,11-trihydroxy-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

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Catalog Number
ACM65669843
Product Name
(1r,2r,4As,6as,6as,6br,8ar,9r,10s,11r,12ar,14br)-1,10,11-trihydroxy-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
CAS
65669-84-3
Category
Heterocyclic Organic Compound
Synonyms
Myrianthic acid, 65669-84-3, SureCN5797979, AC1L4B38, CHEMBL2385208, Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2alpha,3alpha,4alpha)-, (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-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, 89786-84-5
IUPAC Name
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-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
504.6985
Molecular Formula
C30H48O6
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O
InChI Key
YCOKATFNRPZIIU-MGBZEVKYSA-N
Boiling Point
639.3ºC at 760 mmHg
Flash Point
354.5ºC
Density
1.23g/cm³
Exact Mass
504.34500
H-Bond Acceptor
6
H-Bond Donor
5
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