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Substance Name: 3-O-Glucosylchlormadinol acetate
RN: 113547-99-2
InChIKey: FYXRJCKQDXHCLY-NGBQXFLDSA-N

Molecular Weight

  • 569.0869
 
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Names and Synonyms

Name of Substance

  • 3-O-Glucosylchlormadinol acetate

Synonym

  • 3-Gcma

Registry Numbers

CAS Registry Number

  • 113547-99-2

System Generated Number

  • 0113547992

Structure Descriptors

InChI

1S/C29H41ClO9/c1-14(32)29(39-15(2)33)10-7-19-17-12-21(30)20-11-16(5-8-27(20,3)18(17)6-9-28(19,29)4)37-26-25(36)24(35)23(34)22(13-31)38-26/h11-12,16-19,22-26,31,34-36H,5-10,13H2,1-4H3/t16-,17+,18-,19-,22+,23+,24-,25+,26+,27+,28-,29-/m0/s1

InChIKey

FYXRJCKQDXHCLY-NGBQXFLDSA-N

Smiles

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)Cl)C)OC(=O)C