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Substance Name: Borjatriol
RN: 52591-03-4
InChIKey: YWTBYYFVZRIQQE-OCDWHGDGSA-N

Note

  • Diterpene from Sideritis mugronensis.

Molecular Formula

  • C20-H36-O4

Molecular Weight

  • 340.5
 
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Names and Synonyms

Name of Substance

  • Borjatriol

Synonym

  • 7,14,15,-Trihydroxy-13-epoxylabdane

Systematic Name

  • 1,2-Ethanediol, 1-(dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-3-yl)-, (3R-(3alpha(R*),4abeta,5beta,6aalpha,10abeta,10balpha))-

Registry Numbers

CAS Registry Number

  • 52591-03-4

System Generated Number

  • 0052591034

Structure Descriptors

InChI

1S/C20H36O4/c1-17(2)8-6-9-18(3)13-7-10-19(4,16(23)12-21)24-20(13,5)15(22)11-14(17)18/h13-16,21-23H,6-12H2,1-5H3/t13-,14+,15+,16-,18-,19-,20+/m1/s1

InChIKey

YWTBYYFVZRIQQE-OCDWHGDGSA-N

Smiles

C([C@@H](O)[C@@]1(CC[C@H]2[C@@](O1)([C@H](C[C@H]1C(CCC[C@@]21C)(C)C)O)C)C)O