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Substance Name: 3,5a-Methano-5aH-cycloheptacyclodecen-8(1H)-one, dodecahydro-4,7,10,12,14-pentahydroxy-4,9,9-trimethyl-13-methylene-, (3R-(3R*,4R*,5aS*,7S*,10S*,12S*,13aS*,14R*))-
RN: 52557-31-0
InChIKey: GYJWAHUFJQYZSI-AQQRKTFKSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H32-O6

Molecular Weight

  • 368.4668
 
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Names and Synonyms

Synonym

  • Grayanol A

Systematic Name

  • 3,5a-Methano-5aH-cycloheptacyclodecen-8(1H)-one, dodecahydro-4,7,10,12,14-pentahydroxy-4,9,9-trimethyl-13-methylene-, (3R-(3R*,4R*,5aS*,7S*,10S*,12S*,13aS*,14R*))-

Registry Numbers

CAS Registry Number

  • 52557-31-0

System Generated Number

  • 0052557310

Structure Descriptors

InChI

1S/C20H32O6/c1-10-11-5-6-12-16(24)20(11,9-19(12,4)26)8-14(22)17(25)18(2,3)15(23)7-13(10)21/h11-16,21-24,26H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16+,19+,20?/m0/s1

InChIKey

GYJWAHUFJQYZSI-AQQRKTFKSA-N

Smiles

C[C@]1(CC23C[C@@H](C(=O)C([C@H](C[C@@H](C(=C)[C@@H]2CC[C@@H]1[C@H]3O)O)O)(C)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.