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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-benzoate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
RN: 84849-15-0
InChIKey: ILFZIIZVYOINKM-QIXGXPHLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H39-O7

Molecular Weight

  • 474.5902
 
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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-benzoate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-

Registry Numbers

CAS Registry Number

  • 84849-15-0

System Generated Number

  • 0084849150

Structure Descriptors

InChI

1S/C27H38O7/c1-23(2)19(28)12-18-25(4,32)17-11-10-16-21(34-22(30)15-8-6-5-7-9-15)26(17,14-24(16,3)31)13-20(29)27(18,23)33/h5-9,16-21,28-29,31-33H,10-14H2,1-4H3/t16-,17-,18-,19-,20+,21?,24+,25+,26?,27-/m0/s1

InChIKey

ILFZIIZVYOINKM-QIXGXPHLSA-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)c5ccccc5)(C)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 1350ug/kg (1.35mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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