Cas no 22327-86-2 (Olean-12-en-29-oicacid, 3,21-dihydroxy-11-oxo-, (3b,20a,21a)-)
22327-86-2 structure
Product Name:Olean-12-en-29-oicacid, 3,21-dihydroxy-11-oxo-, (3b,20a,21a)-
CAS No:22327-86-2
MF:C30H46O5
MW:486.683249950409
CID:269983
PubChem ID:75144805
Update Time:2024-03-01
Olean-12-en-29-oicacid, 3,21-dihydroxy-11-oxo-, (3b,20a,21a)- Chemical and Physical Properties
Names and Identifiers
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- Olean-12-en-29-oicacid, 3,21-dihydroxy-11-oxo-, (3b,20a,21a)-
- Glabricacid (6CI)
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- Inchi： 1S/C30H46O5/c1-25(2)20-8-11-30(7)23(27(20,4)10-9-21(25)32)19(31)14-17-18-15-28(5,24(34)35)22(33)16-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20?,21+,22-,23-,26+,27+,28-,29-,30-/m1/s1
- InChI Key： HFTWTHSIMCSLFQ-IJXOBOSTSA-N
- SMILES： [C@@H]1(O)C(C2[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1=O)[C@@]1([C@@](C[C@@H](O)[C@@](C1)(C(O)=O)C)(C)CC3)[H])C)(C)CC2)(C)C
Computed Properties
- Exact Mass: 486.33452456g/mol
- Monoisotopic Mass: 486.33452456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 1
- Complexity: 999
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 94.8?2
Olean-12-en-29-oicacid, 3,21-dihydroxy-11-oxo-, (3b,20a,21a)- Related Literature
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1. 468. Triterpenoids. Part LI. The isolation and characterisation of glabric acid, a new triterpenoid acid from liquorice rootJ. M. Beaton,F. S. Spring J. Chem. Soc. 1956 2417
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2. Index of subjects, 1956
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Yiyang Du,Bo Wu,Feng Xiao,Tingxu Yan,Ying Jia,Kaishun Bi,Bosai He Anal. Methods 2019 11 5533
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4. Index of authors, 1956
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