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Substance Name: Surenone
RN: 73436-47-2
InChIKey: KXIBKDPQXSWDJM-OOXOGSJGSA-N

Molecular Weight

  • 440.5328
 
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Names and Synonyms

Name of Substance

  • Surenone

Systematic Name

  • Oxireno(1',5')cyclopenta(1',2':5,6)naphth(2,1-c)oxepin-4,8(3bH,5H)-dione,1-(3-furanyl)-1,2,2a,5a,6,10a,10b,11,12,12a-decahydro-5-hydroxy-3b,6,6,10a,12a-pentamethyl-, (1S,2aR,3aR,3bR,5R,5aS,10aR,10bR,12aS)-

Registry Numbers

CAS Registry Number

  • 73436-47-2

System Generated Number

  • 0073436472

Structure Descriptors

InChI

1S/C26H32O6/c1-22(2)20-19(28)21(29)25(5)16(23(20,3)9-7-18(27)32-22)6-10-24(4)15(14-8-11-30-13-14)12-17-26(24,25)31-17/h7-9,11,13,15-17,19-20,28H,6,10,12H2,1-5H3/t15-,16?,17+,19+,20-,23+,24-,25-,26+/m0/s1

InChIKey

KXIBKDPQXSWDJM-OOXOGSJGSA-N

Smiles

C[C@@]12CCC3[C@]4(C=CC(=O)OC([C@@H]4[C@H](C(=O)[C@]3([C@@]15[C@H](O5)C[C@H]2c6ccoc6)C)O)(C)C)C