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Substance Name: Macrocalin B
RN: 93781-75-0
InChIKey: GSRZMSWBSLHHAD-PYMBGWLLSA-N

Note

  • From leaves of Rabdosia macrocalyx (Lamiaceae); has cytotoxicity in vitro against cultures of Hela cells.

Molecular Weight

  • 362.419
 
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Names and Synonyms

Name of Substance

  • Macrocalin B

Systematic Name

  • Kaur-16-en-15-one, 7,20:14,20-diepoxy-6,7,11-trihydroxy-, (6beta,7alpha,11beta,14S,20S)-

Registry Numbers

CAS Registry Number

  • 93781-75-0

System Generated Number

  • 0093781750

Structure Descriptors

InChI

1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18?,19-,20?/m0/s1

InChIKey

GSRZMSWBSLHHAD-PYMBGWLLSA-N

Smiles

C1CC(C)(C)[C@H]2[C@@H]([C@@]3([C@@]45C(=O)C([C@H]6[C@@H]5O[C@H]([C@@]2([C@@H]4[C@H](O)C6)C1)O3)=C)O)O