3-ACETYL-BETA-BOSWELLIC ACID

About This Item

Molecular Formula	C₃₂H₅₀O₄
CAS Number	5968-70-7

FC-0858755

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Properties

Chemical Identifiers

IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-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	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
InChI Key	YJBVHJIKNLBFDX-MQURJEHKSA-N
InChI	InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1

Physical Properties

Boiling Point	566.8±50.0 °C at 760 mmHg
Melting Point	157-161ºC
Flash Point	171.4±23.6 °C
Density	1.1±0.1 g/cm3

Safety Information

Flash Point

171.4±23.6 °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.