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Lamiidoside

CAT: 0926-PCA59722-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-PCA59722-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64597-22-4
Smiles
CC1 (C (CC2 (C1C (OC=C2C (=O) OC) OC3C (C (C (C (O3) CO) O) O) O) O) OC (=O) C=CC4=CC=C (C=C4) O) O
Molecular Formula
C26H32O14
Molecular Weight
568.5 g/mol
Controlled
No

Chemical Information

Lamiidoside

Lamiidoside has been reported in Bouchea fluminensis, Citharexylum spinosum, and other organisms with data available.

CAS Number64597-22-4
PubChem CID23815404
IUPAC Namemethyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular FormulaC26H32O14
Molecular Weight568.5
XLogP-0.8
Topological Polar Surface Area222
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity992
SMILES
C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O
InChI
InChI=1S/C26H32O14/c1-25(34)16(39-17(29)8-5-12-3-6-13(28)7-4-12)9-26(35)14(22(33)36-2)11-37-24(21(25)26)40-23-20(32)19(31)18(30)15(10-27)38-23/h3-8,11,15-16,18-21,23-24,27-28,30-32,34-35H,9-10H2,1-2H3/b8-5+/t15-,16+,18-,19+,20-,21-,23+,24+,25+,26+/m1/s1
InChIKey
NQXDDVZOWBZZHN-CRSYUQHVSA-N
Chemical Structure
2D Structure
2D structure of Lamiidoside
CAS: 64597-22-4
CID: 23815404
Formula: C26H32O14
MW: 568.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.5
XLogP3-0.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass568.17920569
Monoisotopic Mass568.17920569
Topological Polar Surface Area222 Ų
Heavy Atom Count40
Formal Charge0
Complexity992
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5789992Lamiidoside

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