Spinorhamnoside

CAT: 0931-TN8073-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN8073-02Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

864271-19-2

Bioactivity

Spinorhamnoside (compound 42) is a type of rhamnoside that can be isolated from the seeds of Ziziphus jujuba.

Smiles

O=C1C2=C(C3=C(OC(C(OC)(C)C)=C3)C=C2O)OC(=C1O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](O)[C@@H](O)[C@H](C)O4)C6=CC=C(OC)C=C6

Molecular Formula

C34H40O15

Molecular Weight

688.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Spinorhamnoside

CAS Number	864271-19-2
PubChem CID	138392195
IUPAC Name	3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(2-methoxypropan-2-yl)furo[2,3-h]chromen-4-one
Molecular Formula	C34H40O15
Molecular Weight	688.7
XLogP	1.5
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Heavy Atom Count	49
Formal Charge	0
Complexity	1200

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC5=C4C=C(O5)C(C)(C)OC)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O

InChI

InChI=1S/C34H40O15/c1-13-22(36)25(39)27(41)32(44-13)49-31-26(40)23(37)14(2)45-33(31)48-30-24(38)21-18(35)12-19-17(11-20(46-19)34(3,4)43-6)29(21)47-28(30)15-7-9-16(42-5)10-8-15/h7-14,22-23,25-27,31-33,35-37,39-41H,1-6H3/t13-,14-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1

InChIKey

FCQPTLCOIYPKAB-MZUTXMFJSA-N

Chemical Structure

2D Structure

CAS: 864271-19-2

CID: 138392195

Formula: C34H40O15

MW: 688.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	688.7
XLogP3	1.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	688.23672056
Monoisotopic Mass	688.23672056
Topological Polar Surface Area	216 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19237451-01	Spinorhamnoside

Spinorhamnoside

Chemical Information

Alternative Products

Popular Products