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Substance Name: 3-Oxopregn-4-ene-21,17-carbolactone
RN: 801-37-6
InChIKey: UWBICEKKOYXZRG-LHZXLZLDSA-N

Molecular Formula

  • C22-H30-O3

Molecular Weight

  • 342.476
 
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Names and Synonyms

Synonym

  • EINECS 212-351-9

Systematic Name

  • 3-Oxopregn-4-ene-21,17-carbolactone

Registry Numbers

CAS Registry Number

  • 801-37-6

System Generated Number

  • 0000801376

Structure Descriptors

InChI

1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22+/m1/s1

InChIKey

UWBICEKKOYXZRG-LHZXLZLDSA-N

Smiles

C=12[C@@](CCC(C1)=O)(C)[C@H]1CC[C@@]3([C@H]([C@@H]1CC2)CC[C@]13OC(=O)CC1)C