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Camaldulenic acid

CAT: 0013-GTR19179159Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179159Size:5 mg
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Description
Camaldulenic acid (CAS 71850-15-2) is a natural compound isolated from Salvia species (Lamiaceae) . It serves as a phytochemical reference standard for research applications, including in vitro studies on plant biochemistry and natural product analysis.
CAS Number
71850-15-2
Smiles
CC1 (C) CC[C@@]2 (CC[C@]3 (C) C (C=C[C@@H]4[C@@]5 (C) C[C@@H] (O) [C@H] (O) C (C) (C) [C@@H]5CC[C@@]34C) =C2C1) C (O) =O |r, c:11,31|
Molecular Formula
C30H46O4
Molecular Weight
470.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Camaldulenic acid

(4aS,6aS,6bR,8aR,10R,11R,12aS,12bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-4a-carboxylic acid has been reported in Ulmus pumila and Eucalyptus camaldulensis with data available.

CAS Number71850-15-2
PubChem CID10528366
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10R,11R,12aS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity974
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1C=CC4=C5CC(CC[C@@]5(CC[C@@]24C)C(=O)O)(C)C)(C[C@H]([C@@H](C3(C)C)O)O)C
InChI
InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8-9,20-23,31-32H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey
YOLIZCATBHWOBV-JZQYXDLISA-N
Chemical Structure
2D Structure
2D structure of Camaldulenic acid
CAS: 71850-15-2
CID: 10528366
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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