Cas no 102607-21-6 (Lucidenic acid G)
Lucidenic acid G structure
Product Name:Lucidenic acid G
CAS No:102607-21-6
MF:C27H40O7
MW:476.60230922699
CID:207929
PubChem ID:14109386
Update Time:2024-03-01
Lucidenic acid G Chemical and Physical Properties
Names and Identifiers
-
- Chol-8-en-24-oic acid,7,15-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-3,11-dioxo-, (4b,5a,7b,15a)-
- Lucidenicacid G
- Lucidenic acid G
- 2F4CZ142OR
- Q27254651
- UNII-2F4CZ142OR
- CHOL-8-EN-24-OIC ACID, 7,15-DIHYDROXY-4-(HYDROXYMETHYL)-4,14-DIMETHYL-3,11-DIOXO-, (4.BETA.,5.ALPHA.,7.BETA.,15.ALPHA.)-
- 102607-21-6
- CHOL-8-EN-24-oic acid, 7,15-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-3,11-dioxo-, (4beta,5alpha,7beta,15alpha)-
- (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- CHEBI:169867
- 3,11-dioxo-4beta,7beta,15alpha-trihydroxy-5alpha-lanost-8-en-24-oic acid
-
- Inchi： 1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)/t14-,15-,16+,18-,20+,24+,25-,26-,27+/m1/s1
- InChI Key： PWSMDKBWXADYJS-HPMFNFBQSA-N
- SMILES： O[C@H]1C[C@H]([C@H](C)CCC(=O)O)[C@@]2(C)CC(C3[C@@]4(C)CCC([C@](C)(CO)[C@@H]4C[C@@H](C=3[C@@]21C)O)=O)=O
Computed Properties
- Exact Mass: 476.27740361g/mol
- Monoisotopic Mass: 476.27740361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 955
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
- XLogP3: 1.7
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