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Substance Name: 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-lactate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,12R)-
RN: 84893-93-6
InChIKey: XXODEMBNTRANPZ-NWRSHTILSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H39-O8

Molecular Weight

  • 442.5452
 
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Names and Synonyms

  • 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-lactate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,12R)-

Registry Numbers

CAS Registry Number

  • 84893-93-6

System Generated Number

  • 0084893936

Structure Descriptors

InChI

1S/C23H38O8/c1-11(24)18(27)31-17-12-6-7-13-21(5,29)14-8-15(25)19(2,3)23(14,30)16(26)9-22(13,17)10-20(12,4)28/h11-17,24-26,28-30H,6-10H2,1-5H3/t11?,12-,13-,14-,15-,16+,17?,20+,21+,22?,23-/m0/s1

InChIKey

XXODEMBNTRANPZ-NWRSHTILSA-N

Smiles

CC(C(=O)OC1[C@@H]2CC[C@@H]3C1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 80ug/kg (0.08mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Journal of Medicinal Chemistry. Vol. 26, Pg. 851, 1983.