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Manwuweizic acid

CAT: 0804-HY-N11927-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11927-01Size:1 mg
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Description
Manwuweizic acid is a triterpenoid that can be isolated from Kadsura heteroclite[1].
CAS Number
116963-87-2
Product Name Alternative
(+) -Manwuweizic acid
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/manwuweizic-acid.html
Solubility
10 mM in DMSO
Smiles
C[C@]12C3=C(CC[C@@]1([C@@](CC2)([H])[C@H](C)CC/C=C(C)\C(O)=O)C)[C@](C)([C@@H](CC3)C(C)=C)CCC(O)=O
Molecular Formula
C30H46O4
Molecular Weight
470.68
References & Citations
[1]Li, Ding-xiang, et al. Two New 3, 4-seco-Lanostane Triterpenoids from Stems of Kadsura heteroclita. Chinese Herbal Medicines, 7 (3), 283–286.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Manwuweizic acid

Manwuweizic acid has been reported in Kadsura ananosma, Schisandra propinqua, and other organisms with data available.

CAS Number116963-87-2
PubChem CID14104874
IUPAC Name(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP7.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity911
SMILES
C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
InChI
InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,22-23H,1,8-9,11-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,28+,29-,30+/m1/s1
InChIKey
SOWPPACPMKVOEL-XKHWUHGNSA-N
Chemical Structure
2D Structure
2D structure of Manwuweizic acid
CAS: 116963-87-2
CID: 14104874
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP37.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area74.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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