BETA-BOSWELLIC ACID

About This Item

Molecular Formula	C₃₀H₄₈O₃
CAS Number	631-69-6
Appearance	Solid

FC-0175833

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Properties

Chemical Identifiers

IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
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)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
InChI Key	NBGQZFQREPIKMG-PONOSELZSA-N
InChI	InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1

Physical Properties

Boiling Point	556.0±50.0 °C at 760 mmHg
Melting Point	130-135ºC
Flash Point	304.1±26.6 °C
Density	1.1±0.1 g/cm3

Safety Information

Flash Point

304.1±26.6 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.