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Substance Name: Buxaminol B
RN: 58672-77-8
InChIKey: GTXYASOPMHQGPE-JTDYHNPVSA-N

Molecular Formula

  • C27-H46-N2-O

Molecular Weight

  • 414.6734
 
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Names and Synonyms

Results Name

  • Buxaminol B

Synonym

  • Buxaminol B

Systematic Name

  • B(9a)-Homo-19-norpregna-9(11),9a-dien-16-ol, 3-(dimethylamino)-4,4,14-trimethyl-20-(methylamino)-, (3beta,5alpha,16alpha,20S)-

Registry Numbers

CAS Registry Number

  • 58672-77-8

System Generated Number

  • 0058672778

Structure Descriptors

InChI

1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21?,22+,23-,24-,26+,27-/m0/s1

InChIKey

GTXYASOPMHQGPE-JTDYHNPVSA-N

Smiles

C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2CC[C@@H]4C(=C3)CC[C@@H](C4(C)C)N(C)C)C)C)O)NC