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Cyclocarioside D

CAT: 0931-T125917-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125917-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1403937-41-6
Target
Others
Related Pathways
Others
Bioactivity
Cyclocarioside D is a useful organic compound for research related to life sciences. The catalog number is T125917 and the CAS number is 1403937-41-6.
Smiles
COC(C)(C)\C=C\CC(C)(O)C1CCC2(C)C1C(CC1C(C)(CCC(O)=O)C(CCC21C)C(C)=C)OC1OC(C)C(O)C(O)C1O
Molecular Formula
C37H62O9
Molecular Weight
650.894
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclocarioside D
CAS Number1403937-41-6
PubChem CID155978646
IUPAC Name3-[3-[(E)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular FormulaC37H62O9
Molecular Weight650.9
XLogP5.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1150
SMILES
CC1C(C(C(C(O1)OC2CC3C(CCC(C3(C)CCC(=O)O)C(=C)C)(C4(C2C(CC4)C(C)(C/C=C/C(C)(C)OC)O)C)C)O)O)O
InChI
InChI=1S/C37H62O9/c1-21(2)23-12-18-35(7)26(34(23,6)17-14-27(38)39)20-25(46-32-31(42)30(41)29(40)22(3)45-32)28-24(13-19-36(28,35)8)37(9,43)16-11-15-33(4,5)44-10/h11,15,22-26,28-32,40-43H,1,12-14,16-20H2,2-10H3,(H,38,39)/b15-11+
InChIKey
RZROURYDMDQMGW-RVDMUPIBSA-N
Chemical Structure
2D Structure
2D structure of Cyclocarioside D
CAS: 1403937-41-6
CID: 155978646
Formula: C37H62O9
MW: 650.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.9
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass650.43938355
Monoisotopic Mass650.43938355
Topological Polar Surface Area146 Ų
Heavy Atom Count46
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19228278-01Cyclocarioside J
HY-N10034Cyclocarioside F
GTR19228044-01Cyclocarioside D
GTR19229581-01Cyclocarioside B
GTR19233746-01Cyclocarioside K
GTR19277817-01Cyclocarioside H
GTR19277816-01Cyclocarioside I

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