IPOMOTAOSIDE_A;(S)-JALAPINOLIC_ACID-11-O-(2-O-TRANS-CINNAMOYL)-[(4-O-N-DODECANOYL)]-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-(3-O-N-DECANOYL)-

SpectraBase Compound ID	G5JszWKkBNQ
InChI	InChI=1S/C71H116O21/c1-8-11-14-16-18-19-23-27-34-41-52(72)86-61-47(5)83-70(66(58(61)78)89-55(75)45-44-50-37-31-29-32-38-50)91-63-49(7)82-68(60(80)64(63)87-53(73)42-35-26-21-17-15-12-9-2)90-62-48(6)84-71-67(59(62)79)88-54(74)43-36-28-24-20-22-25-33-40-51(39-30-13-10-3)85-69-65(92-71)57(77)56(76)46(4)81-69/h29,31-32,37-38,44-49,51,56-71,76-80H,8-28,30,33-36,39-43H2,1-7H3/b45-44+/t46-,47-,48+,49+,51+,56+,57+,58+,59-,60-,61-,62+,63+,64+,65-,66+,67-,68+,69+,70-,71+/m1/s1
InChIKey	RWELBFDBNJXLOK-OPWADAQXSA-N Google Search
Mol Weight	1305.7 g/mol
Molecular Formula	C71H116O21
Exact Mass	1304.800911 g/mol

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SpectraBase Spectrum ID	AFBX46pGrdn
Name	IPOMOTAOSIDE_A;(S)-JALAPINOLIC_ACID-11-O-(2-O-TRANS-CINNAMOYL)-[(4-O-N-DODECANOYL)]-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-(3-O-N-DECANOYL)-
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C71H116O21
InChI	InChI=1S/C71H116O21/c1-8-11-14-16-18-19-23-27-34-41-52(72)86-61-47(5)83-70(66(58(61)78)89-55(75)45-44-50-37-31-29-32-38-50)91-63-49(7)82-68(60(80)64(63)87-53(73)42-35-26-21-17-15-12-9-2)90-62-48(6)84-71-67(59(62)79)88-54(74)43-36-28-24-20-22-25-33-40-51(39-30-13-10-3)85-69-65(92-71)57(77)56(76)46(4)81-69/h29,31-32,37-38,44-49,51,56-71,76-80H,8-28,30,33-36,39-43H2,1-7H3/b45-44+/t46-,47-,48+,49+,51+,56+,57+,58+,59-,60-,61-,62+,63+,64+,65-,66+,67-,68+,69+,70-,71+/m1/s1
InChIKey	RWELBFDBNJXLOK-OPWADAQXSA-N
Literature Reference Author	K.YOSHIKAWA,C.YAGI,H.HAMA,M.TANAKA,S.ARIHARA,T.HASHIMOTO
Literature Reference Citation	J.NAT.PROD.,73,1763(2010)
Literature Reference DOI	10.1021/np100283t
Molecular Weight	1305.689 g/mol
Sample ID	36109
Solvent	C5D5N