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20 (R) -Notoginsenoside R2

CAT: 0127-BUP24006-01Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
948046-15-9
MDL Number
MFCD22125014
Purity
≥98%
Smiles
C[C@]12[C@]3 ([C@@] ([C@@H] (C[C@]1 ([H]) [C@@]4 ([C@@] (C (C) ([C@H] (CC4) O) C) ([H]) [C@H] (C2) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) CO) O) O) O[C@H]6[C@@H] ([C@H] ([C@@H] (CO6) O) O) O) C) O) ([H]) [C@@] (CC3) ([H]) [C@] (C) (O) CC/C=C (C) C) C

Chemical Information

20(R)-Notoginsenoside-R2
CAS Number948046-15-9
PubChem CID16757287
IUPAC Name(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Molecular FormulaC41H70O13
Molecular Weight771.0
XLogP2.7
Topological Polar Surface Area219
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count54
Formal Charge0
Complexity1360
SMILES
CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O)C
InChI
InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41+/m0/s1
InChIKey
FNIRVWPHRMMRQI-RFMRREALSA-N
Chemical Structure
2D Structure
2D structure of 20(R)-Notoginsenoside-R2
CAS: 948046-15-9
CID: 16757287
Formula: C41H70O13
MW: 771.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.0
XLogP32.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass770.48164228
Monoisotopic Mass770.48164228
Topological Polar Surface Area219 Ų
Heavy Atom Count54
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19242974Notoginsenoside A
HY-N16751Notoginsenoside D
CS-BS-00190Notoginsenoside Fe
MDA74177-01Notoginsenoside R4
TN1105Notoginsenoside S
T5761-01Notoginsenoside Ft1
TN8463-01Notoginsenoside FP1
300694Notoginsenoside R1
300692Notoginsenoside Fd
HY-N10151-01Notoginsenoside R3

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