#6A;CALYSOLIC-ACID-A;(11S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP

SpectraBase Compound ID	7G7kQdeOX4R
InChI	InChI=1S/C46H82O26/c1-4-5-11-14-22(15-12-9-7-6-8-10-13-16-26(49)50)66-45-40(35(59)28(52)21(3)65-45)71-46-41(72-43-37(61)32(56)27(51)20(2)64-43)39(31(55)24(18-48)68-46)70-44-38(62)34(58)30(54)25(69-44)19-63-42-36(60)33(57)29(53)23(17-47)67-42/h20-25,27-48,51-62H,4-19H2,1-3H3,(H,49,50)/t20-,21+,22+,23-,24+,25-,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,43-,44+,45-,46-/m1/s1
InChIKey	LFAYDIHQJMZNBA-LAOBBPIHSA-N Google Search
Mol Weight	1051.1 g/mol
Molecular Formula	C46H82O26
Exact Mass	1050.509433 g/mol

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SpectraBase Spectrum ID	K8z9k2mSXbd
Name	#6A;CALYSOLIC-ACID-A;(11S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C46H82O26
InChI	InChI=1S/C46H82O26/c1-4-5-11-14-22(15-12-9-7-6-8-10-13-16-26(49)50)66-45-40(35(59)28(52)21(3)65-45)71-46-41(72-43-37(61)32(56)27(51)20(2)64-43)39(31(55)24(18-48)68-46)70-44-38(62)34(58)30(54)25(69-44)19-63-42-36(60)33(57)29(53)23(17-47)67-42/h20-25,27-48,51-62H,4-19H2,1-3H3,(H,49,50)/t20-,21+,22+,23-,24+,25-,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,43-,44+,45-,46-/m1/s1
InChIKey	LFAYDIHQJMZNBA-LAOBBPIHSA-N
Literature Reference Author	A.TAKIGAWA,H.SETOGUCHI,M.OKAWA,J.KINJO,H.MIYASHITA,K.YOKOMIZ O,H.YOSHIMITSU
Literature Reference Citation	CHEM.PHARM.BULL.,59,1163(2011)
Literature Reference DOI	10.1248/cpb.59.1163
Molecular Weight	1051.141 g/mol
Source File Reference	UWIR3612