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Substance Name: Jaborochlorodiol
RN: 135293-24-2
InChIKey: KAXRCKJURNMODO-KKTIOXCDSA-N

Molecular Formula

  • C28-H35-Cl-O6

Molecular Weight

  • 503.031
 
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Names and Synonyms

Results Name

  • Jaborochlorodiol

Synonym

  • Jaborochlorodiol

Systematic Name

  • Ergosta-2,4,24-trien-26-oic acid, 6-chloro-12,22-epoxy-12,17,23-trihydroxy-1-oxo-, gamma-lactone, (6alpha,12alpha,17alpha,22S,23R)-

Registry Numbers

CAS Registry Number

  • 135293-24-2

System Generated Number

  • 0135293242

Structure Descriptors

InChI

1S/C28H35ClO6/c1-13-14(2)24(31)34-22(13)23-15(3)27(32)10-9-17-16-11-20(29)18-7-6-8-21(30)25(18,4)19(16)12-28(33,35-23)26(17,27)5/h6-8,15-17,19-20,22-23,32-33H,9-12H2,1-5H3/t15-,16+,17+,19+,20+,22-,23+,25+,26+,27+,28-/m1/s1

InChIKey

KAXRCKJURNMODO-KKTIOXCDSA-N

Smiles

C=1C=C2[C@H](C[C@H]3[C@@H]4CC[C@@]5([C@@H]([C@@H]([C@H]6C(C)=C(C(=O)O6)C)O[C@@]([C@@]45C)(C[C@H]3[C@@]2(C(C1)=O)C)O)C)O)Cl