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Substance Name: Esculentoside P
RN: 60820-96-4
InChIKey: HYBMIQRHHBBMMB-VZOUTUJFSA-N

Note

  • From the root of Phytolacca esculenta.

Molecular Formula

  • C36-H56-O12

Molecular Weight

  • 680.8264
 
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Names and Synonyms

Name of Substance

  • Esculentoside P

Synonym

  • 3-O-beta-D-Glucopyranosyl-jaligonic acid

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-, (2beta,3beta,4alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 60820-96-4

System Generated Number

  • 0060820964

Structure Descriptors

InChI

1S/C36H56O12/c1-31(29(43)44)10-12-36(30(45)46)13-11-34(4)18(19(36)14-31)6-7-23-32(2)15-20(39)27(33(3,17-38)22(32)8-9-35(23,34)5)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20+,21-,22?,23-,24-,25+,26-,27+,28+,31-,32+,33+,34-,35-,36+/m1/s1

InChIKey

HYBMIQRHHBBMMB-VZOUTUJFSA-N

Smiles

C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O