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Substance Name: Arborside A
RN: 128450-78-2
InChIKey: MLCOOYQKNSDMRD-HRNXZSIZSA-N

Molecular Weight

  • 614.597
 
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Names and Synonyms

Results Name

  • Arborside A

Synonym

  • Arborside A

Systematic Name

  • Cyclopenta(c)pyran-4-carboxylic acid, 5,6-bis(benzoyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,5S,6R,7R,7aR)-

Registry Numbers

CAS Registry Number

  • 128450-78-2

System Generated Number

  • 0128450782

Structure Descriptors

InChI

InChI=1S/C31H34O13/c1-15-20-21(18(29(38)39-2)14-40-30(20)44-31-24(35)23(34)22(33)19(13-32)41-31)26(43-28(37)17-11-7-4-8-12-17)25(15)42-27(36)16-9-5-3-6-10-16/h3-12,14-15,19-26,30-35H,13H2,1-2H3/t15-,19-,20-,21-,22-,23+,24-,25-,26+,30+,31+/m1/s1

InChIKey

MLCOOYQKNSDMRD-HRNXZSIZSA-N

Smiles

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]13