Home Other Building Blocks Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,18α,20β)-

Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,18α,20β)-

CAS No.:
1449-05-4
Catalog Number:
AG001KBM
Molecular Formula:
C30H46O4
Molecular Weight:
470.6838
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Product Description
Catalog Number:
AG001KBM
Chemical Name:
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,18α,20β)-
CAS Number:
1449-05-4
Molecular Formula:
C30H46O4
Molecular Weight:
470.6838
MDL Number:
MFCD00064897
IUPAC Name:
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
InChI:
InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1
InChI Key:
MPDGHEJMBKOTSU-PMTKVOBESA-N
SMILES:
O=C1C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C(C1CC2)(C)C)O)C)C)C(=O)O
Properties
Complexity:
965  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
470.34g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
470.694g/mol
Monoisotopic Mass:
470.34g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  
Literature
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