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Substance Name: Caloporoside
RN: 160471-36-3
InChIKey: BRQJNWFMGNHEQO-LYJPMCOASA-N

Note

  • A salicylic acid derivative; contains a mannopyranosyl and a mannonic acid moiety; from fermentations of Caloporus dichrous.

Molecular Weight

  • 816.929
 
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Names and Synonyms

Name of Substance

  • Caloporoside

Systematic Name

  • D-Mannonic acid, 5-O-(2-O-acetyl-beta-D-mannopyranosyl)-, 16-(2-carboxy-3-hydroxyphenyl)-1-methylhexadecyl ester, 2-acetate, (R)-

Registry Numbers

CAS Registry Number

  • 160471-36-3

System Generated Number

  • 0160471363

Structure Descriptors

InChI

1S/C40H64O17/c1-24(18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-27-20-17-21-28(45)31(27)37(50)51)40(39(52)53,57-26(3)44)36(49)33(47)30(23-42)56-38-35(54-25(2)43)34(48)32(46)29(22-41)55-38/h17,20-21,24,29-30,32-36,38,41-42,45-49H,4-16,18-19,22-23H2,1-3H3,(H,50,51)(H,52,53)/t24?,29-,30-,32-,33-,34+,35+,36+,38+,40+/m1/s1

InChIKey

BRQJNWFMGNHEQO-LYJPMCOASA-N

Smiles

C([C@@]([C@@H](O)[C@H](O)[C@H](O[C@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O1)CO)CO)(OC(C)=O)[C@@H](CCCCCCCCCCCCCCCc1c(c(ccc1)O)C(=O)O)C)(=O)O