Totarol

CAT: 0127-BUP11532-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11532-03Size:50 mg

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CAS Number

511-15-9

Synonyms

(+) -Totarol

Purity

=98%

Smiles

C[C@@]12C=3C(=C(C(C)C)C(O)=CC3)CC[C@]1(C(C)(C)CCC2)[H]

Chemical Information

(+)-Totarol

Totarol is a diterpenoid. It has a role as a metabolite.

CAS Number	511-15-9
PubChem CID	92783
IUPAC Name	(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Molecular Formula	C20H30O
Molecular Weight	286.5
XLogP	6.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	385

SMILES

CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O

InChI

InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1

InChIKey

ZRVDANDJSTYELM-FXAWDEMLSA-N

Chemical Structure

2D Structure

CAS: 511-15-9

CID: 92783

Formula: C20H30O

MW: 286.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.5
XLogP3	6.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	286.229665576
Monoisotopic Mass	286.229665576
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BIBL0008	EXTRACTME TOTAL RNA KIT
BIBL0012	EXTRACTME TOTAL RNA PLUS KIT
BIBL0041	dNTPs MIX 40 mM Total
BIBL0042	DNTPs MIX 100 mM Total
BIBL0040	DNTPs MIX 10 mM Total
BIBL0013	EXTRACTME TOTAL RNA MICRO SPIN KIT
BAL110	Adazol Total RNA Extraction Reagent, 1 pack=100mL
BAL351	Total Nitric Oxide Assay Kit, 1 pack = 200 T
BAL348	Plant Total Phenol Assay Kit, 1 pack = 50 T
BAL349	Plant Total Phenol Assay Kit, 1 pack = 100 T