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Substance Name: Sclareol
RN: 515-03-7
UNII: B607NP0Q8Y
InChIKey: XVULBTBTFGYVRC-HHUCQEJWSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H36-O2

Molecular Weight

  • 308.5024
 
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Names and Synonyms

Name of Substance

  • Sclareol

Synonyms

  • (13R)-Labd-14-ene-8,13-diol
  • 4-06-00-05554 (Beilstein Handbook Reference)
  • BRN 2054148
  • EINECS 208-194-0
  • Sclareol
  • Sclareol (6CI)
  • Sclareol (natural)
  • UNII-B607NP0Q8Y

Systematic Names

  • (1R-(1alpha(R*),2beta,4Abeta,8aalpha))-2-hydroxy-alpha,2,5,5,8a-pentamethyl-alpha-vinyldecahydronaphthalene-1-propan-1-ol
  • 1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (1theta-(1alpha(theta),2beta,4abeta,8aalpha))-
  • 1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphaR,1R,2R,4aS,8aS)-
  • 1-Naphthalenepropanol, decahydro-alpha-ethenyl-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (1R-(1-alpha(R*),2-beta,4a-beta,8a-alpha))-
  • Labd-14-ene-8,13-diol, (13R)- (8CI)

Registry Numbers

CAS Registry Number

  • 515-03-7

FDA UNII

  • B607NP0Q8Y

Other Registry Numbers

  • 17904-64-2
  • 886030-32-6

System Generated Number

  • 0000515037

Structure Descriptors

InChI

1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1

InChIKey

XVULBTBTFGYVRC-HHUCQEJWSA-N

Smiles

C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 115S, 1992.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 115S, 1992.