Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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 (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)-

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

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.