Diterpenoids

(+)-Totarol

桃柁酚

PHY-NP-03196 · Natural product research catalog

Catalog number	PHY-NP-03196
CAS number	511-15-9
Molecular formula	C₂₀H₃₀O
Molecular weight	286.459 g/mol
Chemical class	Diterpenoids
Main reported source	Juniperus chinensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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(+)-Totarol is listed in the Diterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
SMILES	CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChIKey	ZRVDANDJSTYELM-FXAWDEMLSA-N
Subclass / scaffold	Totarane diterpenoids
PubChem CID	92783

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	3
Aromatic rings	1
Fraction Csp³	0.7
Synthetic accessibility score	3.44
QED score	0.718
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Diterpenoids
NPClassifier class	Totarane diterpenoids
Parent SMILES	CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C
Parent formula	C₂₀H₃₀O
Parent molecular weight	286.459
Specified stereocenters	2
Unspecified stereocenters	0

Main reported source	Juniperus chinensis
Reported source families	Cupressaceae; Podocarpaceae; Apidae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Juniperus chinensis[4]; Nageia nagi[4]; Platycladus orientalis[3]; Thuja standishii[3]; Apis mellifera[2]; Cryptomeria japonica[2]; Tetraclinis articulata[2]; Thujopsis dolabrata[2]; Afrocarpus falcatus[1]; Callitropsis nootkatensis[1]; Chamaecyparis formosensis[1]; Chamaecyparis obtusa[1]; Chamaecyparis pisifera[1]; Cupressus sempervirens[1]; Dacrycarpus vieillardii[1]
All reported source families	Cupressaceae[19]; Podocarpaceae[9]; Apidae[1]; Schistochilaceae[1]
LOTUS species records	30
LOTUS reference records	34
COCONUT occurrence records	Afrocarpus falcatus; Agathis robusta; Apis mellifera; Artabotrys hexapetalus; Biota orientalis; Breonia chinensis; Callitropsis nootkatensis; Campylotropis hirtella; Ceropegia dichotoma; Chamaecyparis formosensis; Chamaecyparis obtusa; Chamaecyparis pisifera; Cocculus hirsutus; Crinum moorei; Crotalaria candicans; Cryptomeria japonica; Cupaniopsis macropetala; Cupressus sempervirens; Dacrycarpus vieillardii; Dendrobium loddigesii; Distephanus angulifolius; Eria japonica; Erythrina falcata; Eucalyptus apodophylla; Eucalyptus globulus subsp. bicostata; Glycosmis macrophylla; Gypsophila perfoliata; Hypericum polyanthemum; Juniperus chinensis; Juniperus communis
COCONUT organism records	82
COCONUT identifier	CNP0145319.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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