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Substance Name: Neodarutoside
RN: 125776-03-6
InChIKey: NPDAQZUAWDTCIZ-YJCQVRHNSA-N

Note

  • From Siegesbeckia glabrescens Mak.

Molecular Formula

  • C32-H54-O13

Molecular Weight

  • 646.766
 
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Names and Synonyms

Name of Substance

  • Neodarutoside

Synonym

  • 3,15,16-Trihydroxypimarane 3,15-bis(glucopyranoside)

Systematic Name

  • beta-D-Glucopyranoside, 1-(7-(beta-D-glucopyranosyloxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl)-2-hydroxyethyl

Registry Numbers

CAS Registry Number

  • 125776-03-6

System Generated Number

  • 0125776036

Structure Descriptors

InChI

1S/C32H54O13/c1-30(2)19-6-5-15-11-31(3,21(14-35)45-29-27(41)25(39)23(37)18(13-34)43-29)9-7-16(15)32(19,4)10-8-20(30)44-28-26(40)24(38)22(36)17(12-33)42-28/h11,16-29,33-41H,5-10,12-14H2,1-4H3/t16?,17-,18-,19?,20?,21?,22-,23-,24+,25+,26-,27-,28+,29+,31?,32?/m1/s1

InChIKey

NPDAQZUAWDTCIZ-YJCQVRHNSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H](CO)[C@@]1(C=C2CC[C@@H]3C([C@@H](CC[C@@]3([C@@H]2CC1)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)(C)C)C