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Substance Name: Pennigritrem
RN: 139682-30-7
InChIKey: HYLKKEXCEIKCIN-UHFFFAOYSA-N

Molecular Formula

  • C37-H44-Cl-N-O6

Molecular Weight

  • 634.209
 
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Names and Synonyms

Results Name

  • Pennigritrem

Synonym

  • Pennigritrem

Systematic Name

  • 6,7-(Epoxymethano)-5H-cyclobuta(5,6)benz(1,2- e)oxeto(3'',2'':2',3')oxireno(4',4'a)(1)benzopyrano(5',6':6,7)indeno(1,2-b)indole-3b,6d(4H,5aH)-diol, 11-chloro- 1,2a,2b,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-hexadecahydro-1,1,13b,13c,17,17-hexamethyl-9-methylene-, (2aS-(2aalpha,2bbeta,3aR*,3balpha,5abeta,6beta,6dalpha,7alpha,8aalpha,13balpha,13cbeta,15aalpha,16aalpha))-

Registry Numbers

CAS Registry Number

  • 139682-30-7

System Generated Number

  • 0139682307

Structure Descriptors

InChI

1S/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3

InChIKey

HYLKKEXCEIKCIN-UHFFFAOYSA-N

Smiles

[nH]1c2[C@@]3([C@@H]([C@@H]4c2c2c1cc(c1c2[C@@]2([C@@H](C(C1)=C)C[C@@H]2C(O4)(C)C)O)Cl)CC[C@@]1([C@@]3(CC[C@@H]2[C@@]31[C@@H]([C@@H]1OC(C)(C)[C@@H]1O2)O3)C)O)C