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Otophylloside B 4-O-α-L-cymaropyranoside
[CAS# 171422-82-5]

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CAS#: 171422-82-5
Product: Otophylloside B 4-O-α-L-cymaropyranoside
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Identification
Name Otophylloside B 4-O-α-L-cymaropyranoside
Molecular Structure CAS#: 171422-82-5, Otophylloside B 4-O-α-L-cymaropyranoside
Molecular Formula C56H90O19
Molecular Weight 1067.32
CAS Registry Number 171422-82-5
SMILES CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=C(C)C(C)C)C)C)C)C)OC)O
InChI 1S/C56H90O19/c1-28(2)29(3)21-43(58)72-42-27-41-52(9)17-16-36(22-35(52)15-18-55(41,61)56(62)20-19-54(60,34(8)57)53(42,56)10)71-44-24-38(64-12)49(31(5)68-44)74-46-26-40(66-14)51(33(7)70-46)75-47-25-39(65-13)50(32(6)69-47)73-45-23-37(63-11)48(59)30(4)67-45/h15,21,28,30-33,36-42,44-51,59-62H,16-20,22-27H2,1-14H3/b29-21+/t30-,31+,32+,33+,36-,37+,38-,39+,40-,41+,42+,44-,45-,46-,47-,48-,49+,50+,51+,52-,53+,54+,55-,56+/m0/s1
InChIKey YUDOHRCAEPBFBO-ZIIVSZOXSA-N
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