Cas no 1196974-02-3 (ent-6alpha,7alpha,12beta,14alpha-tetrahydroxy-19-acetoxy-7beta,20-epoxy-kaur-16-en-15-one)
1196974-02-3 structure
Product Name:ent-6alpha,7alpha,12beta,14alpha-tetrahydroxy-19-acetoxy-7beta,20-epoxy-kaur-16-en-15-one
CAS No:1196974-02-3
MF:C22H30O8
MW:422.468807697296
CID:2002938
Update Time:2025-04-21
ent-6alpha,7alpha,12beta,14alpha-tetrahydroxy-19-acetoxy-7beta,20-epoxy-kaur-16-en-15-one Chemical and Physical Properties
Names and Identifiers
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- ent-6alpha,7alpha,12beta,14alpha-tetrahydroxy-19-acetoxy-7beta,20-epoxy-kaur-16-en-15-one
- sinuolatin B
- (-)-Sinuolatin B
-
- Inchi： 1S/C22H30O8/c1-10-14-12(24)7-13-20-6-4-5-19(3,8-29-11(2)23)15(20)18(27)22(28,30-9-20)21(13,16(10)25)17(14)26/h12-15,17-18,24,26-28H,1,4-9H2,2-3H3
- InChI Key： CNXQTIKXKJRHLQ-UHFFFAOYSA-N
- SMILES： CC(OCC1(C2C3(C4C5(C(=O)C(=C)C(C(C4)O)C5O)C(C2O)(O)OC3)CCC1)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- XLogP3: -0.566000000000001
ent-6alpha,7alpha,12beta,14alpha-tetrahydroxy-19-acetoxy-7beta,20-epoxy-kaur-16-en-15-one Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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