Sclareol

Catalog	ACM515037
CAS	515-03-7
Structure
Synonyms	1-Naphthalenepropanol,decahydro-alpha-ethenyl-2-hydroxy-alpha,2,5,5,8a-pentame
IUPAC Name	(1R,2R,4aS,8aS)-1-[(3R)-3-Hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Molecular Weight	308.51
Molecular Formula	C20H36O2
Canonical SMILES	CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C
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
InChI Key	XVULBTBTFGYVRC-HHUCQEJWSA-N
Boiling Point	218-220 °C/19 mmHg(lit.)
Melting Point	95-100 °C(lit.)
Flash Point	169.1 °C
Purity	98%
Density	0.954±0.06 g/cm³
Solubility	Practically insoluble or insoluble in water
Appearance	Solid
Storage	2-8 °C
Exact Mass	308.271530387
Isomeric SMILES	C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C
Monoisotopic Mass	308.271530387
Physical State	Solid
Refractive Index	1.489
Storage Conditions	2-8 °C
Topological Polar Surface Area	40.5 Ų