Trigonosin F

CAS
1262842-73-8
Catalog Number
ACM1262842738
Category
Other Products
Molecular Weight
814.94
Molecular Formula
C46H54O13

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Specification

IUPAC Name
[(1R,2S,3S,5R,6S,7S,8R,10S,11S,14Z,16E,18S,19S,22R,24R,25S,26R,30S,31R,33S)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.119,22.01,8.02,26.03,5.07,11.025,30]tritriaconta-14,16-dien-18-yl] benzoate
Canonical SMILES
CC1CC2C34C(C5C6(C(C3C7C(O7)(C(C2(C1OC(=O)C=CC=CC(C8CCC(C8C)CC6(C)O)OC(=O)C9=CC=CC=C9)O)O)CO)OC(O5)(O4)C1=CC=CC=C1)O)C
InChI
InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11+,18-12-/t24-,25-,26+,28+,30-,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46?/m0/s1
InChI Key
ZDIWBBJUVBDSOV-ZXICBVBBSA-N
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