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Substance Name: Janthitrem E
RN: 90986-50-8
InChIKey: TVRIMSLYKUNOPS-KYCQQYQOSA-N

Molecular Formula

  • C37-H49-N-O6

Molecular Weight

  • 603.795
 
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Names and Synonyms

Results Name

  • Janthitrem E

Synonym

  • Janthitrem E

Systematic Name

  • 4bH-1-Benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2-(1-hydroxy-1-methylethyl)-10,10,12,12,15b,15c-hexamethyl-, (2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-

Registry Numbers

CAS Registry Number

  • 90986-50-8

System Generated Number

  • 0090986508

Structure Descriptors

InChI

1S/C37H49NO6/c1-32(2)17-23-19-15-25-20(14-21(19)29(40)28(23)34(5,6)44-32)22-13-18-9-12-37(42)24-16-26(39)31(33(3,4)41)43-27(24)10-11-35(37,7)36(18,8)30(22)38-25/h14-18,26-29,31,38-42H,9-13H2,1-8H3/t18-,26+,27-,28+,29+,31-,35+,36+,37+/m0/s1

InChIKey

TVRIMSLYKUNOPS-KYCQQYQOSA-N

Smiles

C1(OC(C)(C)C=C2[C@@H]1[C@H](O)c1cc3c(cc21)[nH]c1c3C[C@H]2[C@@]1(C)[C@@]1([C@@](CC2)(C=2[C@H](CC1)O[C@@H]([C@@H](C2)O)C(C)(C)O)O)C)(C)C