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Substance Name: Isocyasterone
RN: 54082-42-7
InChIKey: NEFYSBQJYCICOG-KBTANIATSA-N

Molecular Weight

  • 520.6586
 
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Names and Synonyms

  • Isocyasterone

Registry Numbers

CAS Registry Number

  • 54082-42-7

System Generated Number

  • 0054082427

Structure Descriptors

InChI

InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28+,29-/m1/s1

InChIKey

NEFYSBQJYCICOG-KBTANIATSA-N

Smiles

C[C@H]1OC(=O)[C@H](C)[C@@H]1C[C@@H](O)[C@@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C