Products for Research Use Only
RegisterLogin

Macranthoidin B

CAT: 0607-N2410-20Size: 20 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-N2410-20Size:20 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Bioactive saponin
CAS Number
136849-88-2
Product Name Alternative
Macranthoidin B
Field of Research
Natural Products
Purity
0.98
Form
A solid
Solubility
≥140 mg/mL in DMSO; ≥23.8 mg/mL in H2O; ≥3.53 mg/mL in EtOH with ultrasonic
Smiles
OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](CO[C@@H](OC2C(CO)(C)C(CC[C@]3(C)[C@]4([H])CC=C5[C@@]3(C)CC[C@]6(C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)O7)=O)[C@]5([H])CC(C)(C)CC6)[C@]4(C)CC2)[C@@H]9O[
Molecular Formula
C65H106O32
Molecular Weight
1399.53
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Macranthoidin B

Macranthoidin B is a triterpenoid saponin.

CAS Number136849-88-2
PubChem CID71307567
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC65H106O32
Molecular Weight1399.5
XLogP-4
Topological Polar Surface Area512
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count32
Rotatable Bond Count18
Heavy Atom Count97
Formal Charge0
Complexity2720
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
InChI
InChI=1S/C65H106O32/c1-25-36(71)51(95-55-48(83)44(79)50(31(21-68)91-55)94-54-46(81)42(77)39(74)30(20-67)90-54)49(84)57(88-25)96-52-37(72)28(70)22-86-58(52)93-35-11-12-61(4)33(62(35,5)24-69)10-13-64(7)34(61)9-8-26-27-18-60(2,3)14-16-65(27,17-15-63(26,64)6)59(85)97-56-47(82)43(78)40(75)32(92-56)23-87-53-45(80)41(76)38(73)29(19-66)89-53/h8,25,27-58,66-84H,9-24H2,1-7H3/t25-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1
InChIKey
RKINZCVTEPSBCI-ZBXZRPIVSA-N
Chemical Structure
2D Structure
2D structure of Macranthoidin B
CAS: 136849-88-2
CID: 71307567
Formula: C65H106O32
MW: 1399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1399.5
XLogP3-4
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count32
Rotatable Bond Count18
Exact Mass1398.6667212
Monoisotopic Mass1398.6667212
Topological Polar Surface Area512 Ų
Heavy Atom Count97
Formal Charge0
Complexity2720
Isotope Atom Count0
Defined Atom Stereocenter Count38
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BA7039-5M8-B
N2787-20Cucurbitacin B
BA7039-25M8-B
N1635-20Epimedin B
B1885-5.1Amphotericin B
B5961-5Cytosporone B
N2214-20Liriopesides B
N2383-20Anemarsaponin B
N2202-20Loureirin B
BA5628-5.1THX-B

Alternative Products

CatalogName
300602Macranthoidin A
HY-N2109RMacranthoidin A (Standard)
300603Macranthoidin B
371668Macranthoidin A discontinued

Popular Products