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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-(2,2-dimethylpropionate), (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
RN: 84849-16-1
InChIKey: IZGGSVOKYXICQD-KMWUJZMOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H43-O7

Molecular Weight

  • 454.5998
 
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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-(2,2-dimethylpropionate), (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-

Registry Numbers

CAS Registry Number

  • 84849-16-1

System Generated Number

  • 0084849161

Structure Descriptors

InChI

1S/C25H42O7/c1-20(2,3)19(28)32-18-13-8-9-14-23(7,30)15-10-16(26)21(4,5)25(15,31)17(27)11-24(14,18)12-22(13,6)29/h13-18,26-27,29-31H,8-12H2,1-7H3/t13-,14-,15-,16-,17+,18?,22+,23+,24?,25-/m0/s1

InChIKey

IZGGSVOKYXICQD-KMWUJZMOSA-N

Smiles

C[C@]1(CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@H]1C3OC(=O)C(C)(C)C)(C)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 360ug/kg (0.36mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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