Products for Research Use Only
RegisterLogin

Baccharin

CAT: 1596-AR-B05854-04Size: 100 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-B05854-04Size:100 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
61251-97-6
Synonyms
(2R,2'R,3a'R,4'R,7'E,9'Z,18a'R) -14'-hydroxy-11'- (1-hydroxyethyl) -3a',14a',20a'-trimethyl-3a',4',13',14',14a',15a',20',20a',21a',21b'-decahydro-2'H,16'H,18'H,19'H-spiro[oxirane-2,3'-[2,4]methanooxireno[2,3-h]oxireno[2',3':8,9][1,6,12]trioxacyclooctadecino[3,4-d]chromene]-6',16' (11'H) -dione
Molecular Formula
C29H38O11
Molecular Weight
562.61
API Name
Baccharin

Chemical Information

Baccharin

baccharin has been reported in Baccharis megapotamica with data available.

CAS Number61251-97-6
PubChem CID117587576
IUPAC Name(1R,3S,4S,6R,9R,13S,15R,16S,19R,20E,22Z,26R,27S,28S)-16-hydroxy-19-[(1R)-1-hydroxyethyl]-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione
Molecular FormulaC29H38O11
Molecular Weight562.6
XLogP0.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Heavy Atom Count40
Formal Charge0
Complexity1170
SMILES
C[C@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O
InChI
InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25-,26-,27-,28-,29+/m1/s1
InChIKey
DGBITFNXKQHKLI-IGAMYEMLSA-N
Chemical Structure
2D Structure
2D structure of Baccharin
CAS: 61251-97-6
CID: 117587576
Formula: C29H38O11
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Exact Mass562.24141202
Monoisotopic Mass562.24141202
Topological Polar Surface Area149 Ų
Heavy Atom Count40
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-P01026-01Paclitaxel Baccatin VI
AR-P30117-0119-Hydroxy-Baccatin-III
AR-P01038-017-Troc Baccatin III
AR-P01020-017-Acety Baccatin III
AR-P30119-017-O- (Triethylsilyl) Baccatin III
AR-P01036-01Paclitaxel 13-Tes-baccatin III
AR-C02264-017-epi-10-Deacetyl-Baccatin III
AR-P01034-01Paclitaxel EP Impurity N (Baccatin III)
AR-C02267-0110-Deacetyl-14-Hydroxy-Baccatin III
AR-C02266-0110-Deacetyl-13-Oxo-Baccatin III

Popular Products