#1;PESCAPREIN_X;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-O-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-

SpectraBase Compound ID	LcjR9rEJuPj
InChI	InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(93-67-56(80)60(58(43(8)84-67)91-65(81)39(4)12-3)88-49(73)38-37-45-31-26-24-27-32-45)44(9)86-70(64)92-57-42(7)85-69-62(55(57)79)89-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-68-61(94-69)53(77)51(75)41(6)83-68/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39?,40-,41-,42-,43-,44-,46-,50-,51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,66-,67-,68-,69-,70-/m0/s1
InChIKey	OMTHWYZNPDFTFR-GUOHIAPISA-N Google Search
Mol Weight	1353.6 g/mol
Molecular Formula	C70H112O25
Exact Mass	1352.749269 g/mol

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SpectraBase Spectrum ID	IkF5sBfmdCP
Name	#1;PESCAPREIN_X;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-O-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C70H112O25
InChI	InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(93-67-56(80)60(58(43(8)84-67)91-65(81)39(4)12-3)88-49(73)38-37-45-31-26-24-27-32-45)44(9)86-70(64)92-57-42(7)85-69-62(55(57)79)89-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-68-61(94-69)53(77)51(75)41(6)83-68/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39?,40-,41-,42-,43-,44-,46-,50-,51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,66-,67-,68-,69-,70-/m0/s1
InChIKey	OMTHWYZNPDFTFR-GUOHIAPISA-N
Literature Reference Author	H.TAO,X.HAO,J.LIU,J.DING,Q.GU,W.ZHU
Literature Reference Citation	J.NAT.PROD.,71,1998(2008)
Literature Reference DOI	10.1021/np800386z
Molecular Weight	1353.644 g/mol
Sample ID	29415
Solvent	C5D5N