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Ganorbiformin B

CAT: 0013-GTR19220215-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220215-02Size:50 mg
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Description
Ganorbiformin B is a lanostane-type triterpenoid and the C-3 epimer of ganoderic acid T. It exhibits potent in vitro antimycobacterial activity against Mycobacterium tuberculosis H37Ra, making it a compound of interest for infectious disease research.
CAS Number
1421611-59-7
Field of Research
Infectious Disease & Virology
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (CC3=O) (C (C) (C) [C@@H] (OC (C) =O) CC4) [H]) CC[C@]1 (C) [C@@] ([C@@H] ([C@H] (C/C=C (/C (O) =O) \C) OC (C) =O) C) (CC2) [H]
Molecular Formula
C34H50O7
Molecular Weight
570.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
CAS Number1421611-59-7
PubChem CID102448000
IUPAC Name(E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Molecular FormulaC34H50O7
Molecular Weight570.8
XLogP6.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1190
SMILES
C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)[C@H](C/C=C(\C)/C(=O)O)OC(=O)C
InChI
InChI=1S/C34H50O7/c1-19(30(38)39)10-11-26(40-21(3)35)20(2)23-12-17-34(9)29-24(13-16-33(23,34)8)32(7)15-14-28(41-22(4)36)31(5,6)27(32)18-25(29)37/h10,20,23,26-28H,11-18H2,1-9H3,(H,38,39)/b19-10+/t20-,23+,26-,27-,28-,32+,33+,34-/m0/s1
InChIKey
FPSBBGUSAFEFFR-ITEMVNEESA-N
Chemical Structure
2D Structure
2D structure of (E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
CAS: 1421611-59-7
CID: 102448000
Formula: C34H50O7
MW: 570.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.8
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass570.35565393
Monoisotopic Mass570.35565393
Topological Polar Surface Area107 Ų
Heavy Atom Count41
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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