Asiaticoside, min.95% (NMR)

Name: Asiaticoside
Brand: Chempure

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CAS Number

16830-15-2

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IUPAC name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
inchi	InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
inchi key	WYQVAPGDARQUBT-FGWHUCSPSA-N
molecular formula	C48H78O19
synonyms	Asiaticoside 16830-15-2 Madecassol Asiaticosid Emdecassol
Compound Description	Asiaticoside is a triterpenoid saponin. Madecassol has been reported in Centella erecta, Akebia trifoliata, and other organisms with data available. See also: Centella asiatica flowering top .

Computed Properties

Molecular Weight:	959.1 g/mol
XLogP3:	0.1
Hydrogen Bond Donor Count:	12
Hydrogen Bond Acceptor Count:	19
Rotatable Bond Count:	10
Exact Mass:	958.51373025 g/mol
Monoisotopic Mass:	958.51373025 g/mol
Topological Polar Surface Area:	315 Å²
Heavy Atom Count:	67
Formal Charge:	0
Complexity:	1820
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	27
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 91 of 91 companies. For more detailed information, please visit ECHA C&L website.

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Product No: DT7942

Asiaticoside, min.95% (NMR)

Product No: DT7942

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