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RHODANTHOSIDE-C
SpectraBase Compound ID LIRXYuQPyd0
InChI InChI=1S/C76H106O40/c1-9-35-39(43(65(95)99-7)29-105-69(35)113-73-60(90)56(86)52(82)47(25-77)109-73)18-22-103-67(97)45-31-107-71(115-75-62(92)58(88)54(84)49(27-79)111-75)37(11-3)41(45)16-20-101-51(81)24-33(5)14-13-15-34(6)64(94)102-21-17-42-38(12-4)72(116-76-63(93)59(89)55(85)50(28-80)112-76)108-32-46(42)68(98)104-23-19-40-36(10-2)70(106-30-44(40)66(96)100-8)114-74-61(91)57(87)53(83)48(26-78)110-74/h9-12,15,24,29-32,35-42,47-50,52-63,69-80,82-93H,1-4,13-14,16-23,25-28H2,5-8H3/b33-24+,34-15+/t35-,36+,37-,38+,39+,40-,41+,42-,47+,48-,49+,50-,52+,53-,54+,55-,56-,57+,58-,59+,60+,61-,62+,63-,69+,70-,71+,72-,73-,74+,75-,76+/m0/s1
InChIKey PPWJCVVRNSXHOH-UCWWNANBSA-N
Mol Weight 1659.6 g/mol
Molecular Formula C76H106O40
Exact Mass 1658.626038 g/mol
Enantiomer InChIKey PPWJCVVRNSXHOH-JKMBYVJDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Naturally Occurring Secoiridoids and Bioactivity of Naturally Occurring Iridoids and Secoiridoids. A Review, Part 2 Chemical and Pharmaceutical Bulletin 2007

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