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117020-59-4 | Lanosta-8,24-dien-26-oic acid, 3-oxo-, (24Z)-
CAS No: 117020-59-4 Catalog No: AG000DKF MDL No:
Product Description
Catalog Number:
AG000DKF
Chemical Name:
Lanosta-8,24-dien-26-oic acid, 3-oxo-, (24Z)-
CAS Number:
117020-59-4
Molecular Formula:
C30H46O3
Molecular Weight:
454.6844
IUPAC Name:
(Z,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
InChI:
InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24+,28-,29-,30+/m1/s1
InChI Key:
KDCSSVADTHDYGI-GOEVOFJGSA-N
SMILES:
CC([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC/C=C(\C(=O)O)/C
Properties
Complexity:
908
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
454.345g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.695g/mol
Monoisotopic Mass:
454.345g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| Natural anti-HIV agents. Part IV. Anti-HIV constituents from Vatica cinerea. | Journal of natural products 20030201 |
| Anti-AIDS agents. 48.(1) Anti-HIV activity of moronic acid derivatives and the new melliferone-related triterpenoid isolated from Brazilian propolis. | Journal of natural products 20011001 |
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