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Substance Name: Spirosta-5,25(27)-diene-1,3,11-triol (1-beta,3-beta,11-alpha)-
RN: 34302-29-9
InChIKey: HAIJPYDYMMUVDU-LICPOKBFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-O5

Molecular Weight

  • 444.608
 
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Names and Synonyms

  • Spirosta-5,25(27)-diene-1,3,11-triol (1-beta,3-beta,11-alpha)-

Registry Numbers

CAS Registry Number

  • 34302-29-9

System Generated Number

  • 0034302299

Structure Descriptors

InChI

1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)23-21(32-27)11-19-18-6-5-16-9-17(28)10-22(30)26(16,4)24(18)20(29)12-25(19,23)3/h5,15,17-24,28-30H,1,6-13H2,2-4H3/t15-,17+,18-,19-,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1

InChIKey

HAIJPYDYMMUVDU-LICPOKBFSA-N

Smiles

O1[C@@]2(O[C@@H]3[C@H]([C@@H]2C)[C@]2(C)[C@@H](C3)[C@@H]3CC=C4[C@@]([C@H]3[C@@H](O)C2)([C@@H](C[C@@H](C4)O)O)C)CCC(C1)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 6gm/kg (6000mg/kg)   United States Patent Document. Vol. #3956491,