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Triptonoterpene

CAT: 0127-BUP21386-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21386-03Size:10 mg
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CAS Number
99694-87-8
Purity
=98%
Smiles
C[C@@]12C=3C(CC[C@]1(C(C)(C)C(=O)CC2)[H])=C(O)C(C(C)C)=CC3

Chemical Information

Triptonoterpene

Triptonoterpene is an abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3 and 14 respectively by oxo and hydroxy groups. It is found in Tripterygium wilfordii. It has a role as a plant metabolite. It is a member of phenols, a cyclic terpene ketone, an abietane diterpenoid, a carbotricyclic compound and a tricyclic diterpenoid.

CAS Number99694-87-8
PubChem CID101691231
IUPAC Name(4aS,10aR)-8-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC(=O)C([C@@H]3CC2)(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-12(2)13-6-8-15-14(18(13)22)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h6,8,12,16,22H,7,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey
WENIWZBFJBCNNG-OXJNMPFZSA-N
Chemical Structure
2D Structure
2D structure of Triptonoterpene
CAS: 99694-87-8
CID: 101691231
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N10406-01Triptonoterpene
T80941-01Triptonoterpene Me ether

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