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19026-31-4 | 3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
CAS No: 19026-31-4 Catalog No: AG002EFO MDL No:
Product Description
Catalog Number:
AG002EFO
Chemical Name:
3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
CAS Number:
19026-31-4
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
IUPAC Name:
(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
InChI:
InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1
InChI Key:
FNNZMRSRVYUVQT-AZUAARDMSA-N
SMILES:
CC(C1=CC2=CC(=O)[C@@H]3[C@](C2=C(C1=O)O)(C)CCCC3(C)C)C
UNII:
W96G420HJX
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| A new highly hydroxylated triterpene from Salvia atropatana Bunge. | Natural product research 20120101 |
| Genetic transformation of Salvia austriaca by Agrobacterium rhizogenes and diterpenoid isolation. | Die Pharmazie 20111101 |
| Taxodione, a DNA-binding compound from Taxodium distichum L. (Rich.). | Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101 |
| Structural and spectral assignment by two-dimensional NMR of two new derivatives of the abietane diterpenoid taxodione. | Magnetic resonance in chemistry : MRC 20050101 |
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