Products for Research Use Only
RegisterLogin

2-Deacetyltaxachitriene A

CAT: 0926-PIA76996-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-PIA76996-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
214769-96-7
Smiles
CC1=C2C (C (=C (C (CC (C (=CC (C (C2 (C) C) CC1OC (=O) C) O) COC (=O) C) O) OC (=O) C) C) OC (=O) C) OC (=O) C
Molecular Formula
C30H42O12
Molecular Weight
594.6 g/mol
Controlled
No

Chemical Information

CID 21672157

2-Deacetyltaxachitriene A has been reported in Foeniculum vulgare with data available.

CAS Number214769-96-7
PubChem CID21672157
IUPAC Name[(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
Molecular FormulaC30H42O12
Molecular Weight594.6
XLogP0
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1190
SMILES
CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)/COC(=O)C)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H42O12/c1-14-25(39-17(4)32)11-22-24(37)10-21(13-38-16(3)31)23(36)12-26(40-18(5)33)15(2)28(41-19(6)34)29(42-20(7)35)27(14)30(22,8)9/h10,22-26,29,36-37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1
InChIKey
ARCDGVGZYWJKDA-LBAPPZQKSA-N
Chemical Structure
2D Structure
2D structure of CID 21672157
CAS: 214769-96-7
CID: 21672157
Formula: C30H42O12
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass594.26762677
Monoisotopic Mass594.26762677
Topological Polar Surface Area172 Ų
Heavy Atom Count42
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PJA80099-0113-Deacetyltaxachitriene A
AAA407372,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-012,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
FB15824-012,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
IGA88442-012- (2,2,2-Trifluoroethyl) benzaldehyde
AAC81537-012- (2,2,2-Trifluoroethoxy) propanenitrile
HCA63104-012- (2,2,2-Trifluoroethyl) aniline
KJD25151-012-Ethynylbicyclo[2.2.2]octane
FT80448-012,2,2-Trifluoroethanesulfonamide

Alternative Products

CatalogName
TN27532-Deacetyltaxachitriene A
GTR1918279413-Deacetyltaxachitriene A
PC1003049-012,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-0012'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-012,2,2,2'-Tetrafluoroacetophenone
OR1009873-012,2,2,2-Ethylenedinitrilotetraethanol
290342-012,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-012,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate

Popular Products