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Methyl ganoderenate D

CAT: 1410-M32530-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Methyl ganoderenate D is a natural product for research related to life sciences.
CAS Number
748136-03-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
526.7
Molecular Formula
C31H42O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

7beta-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester

7beta-hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester is a triterpenoid.

CAS Number748136-03-0
PubChem CID139586825
IUPAC Namemethyl (E)-6-[(5S,7R,10R,13S,14S,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate
Molecular FormulaC31H42O7
Molecular Weight526.7
XLogP2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1190
SMILES
CC(CC(=O)/C=C(\C)/[C@@H]1CC(=O)[C@]2([C@]1(CC(=O)C3=C2[C@@H](C[C@H]4[C@]3(CCC(=O)C4(C)C)C)O)C)C)C(=O)OC
InChI
InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,33H,9-10,12-15H2,1-8H3/b16-11+/t17?,19-,20+,22+,29+,30-,31+/m0/s1
InChIKey
LPWWIRLWNQPIDU-KOIRHOSXSA-N
Chemical Structure
2D Structure
2D structure of 7beta-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
CAS: 748136-03-0
CID: 139586825
Formula: C31H42O7
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass526.29305367
Monoisotopic Mass526.29305367
Topological Polar Surface Area115 Ų
Heavy Atom Count38
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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