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Substance Name: Plumieride coumarate glucoside
RN: 80416-52-0
InChIKey: WBCMGDNFDRNGGZ-FKYHQWBNSA-N

Note

  • From Plumeria obtusa.

Molecular Formula

  • C30-H32-O14

Molecular Weight

  • 616.569
 
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Names and Synonyms

Results Name

  • Plumieride coumarate glucoside

Synonym

  • Plumieride coumarate glucoside

Systematic Name

  • Spiro(cyclopenta(c)pyran-7(1H),2'(5'H)-furan)-4-carboxylic acid,1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4'-(1-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)ethyl)-5'-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha(R*),7aalpha))-

Registry Numbers

CAS Registry Number

  • 80416-52-0

System Generated Number

  • 0080416520

Structure Descriptors

InChI

1S/C30H32O14/c1-14(41-21(33)8-5-15-3-6-16(32)7-4-15)18-11-30(44-27(18)38)10-9-17-19(26(37)39-2)13-40-28(22(17)30)43-29-25(36)24(35)23(34)20(12-31)42-29/h3-11,13-14,17,20,22-25,28-29,31-32,34-36H,12H2,1-2H3/b8-5+/t14?,17-,20-,22-,23-,24+,25-,28+,29+,30-/m1/s1

InChIKey

WBCMGDNFDRNGGZ-FKYHQWBNSA-N

Smiles

O1[C@@H](O[C@@H]2OC=C(C(OC)=O)[C@@H]3[C@H]2[C@]2(C=C3)OC(=O)[C@](=C2)[C@@H](C)OC(\C=C\c2ccc(cc2)O)=O)[C@@H]([C@H]([C@@H](O)[C@H]1CO)O)O