Cas no 62306-81-4 (Rutaevin acetate)
Rutaevin acetate structure
Product Name:Rutaevin acetate
CAS No:62306-81-4
MF:C28H32O10
MW:528.547689437866
CID:2022585
PubChem ID:131676076
Update Time:2025-04-21
Rutaevin acetate Chemical and Physical Properties
Names and Identifiers
-
- Rutaevin acetate
- rutaevine acetate
- 62306-81-4
- DTXSID901098514
- FS-7450
- CS-0159021
- E88942
- (2aS,4R,4aS,4bR,5aS,8S,8aS,10aR,10bR,14aS)-4-(Acetyloxy)-8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-11H,13H-oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-3,6,13(4H,5aH)-trione
- HY-N9232
- AKOS040762287
- Rutaevin 7-acetate
- 11H,13H-Oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-3,6,13(4H,5aH)-trione, 4-(acetyloxy)-8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aS,4R,4aS,4bR,5aS,8S,8aS,10aR,10bR,14aS)-
- [(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] acetate
- (1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0(2),?.0(2),(1)?.0(1)?,(1)?.0(1)?,(2)?]docosan-12-yl acetate
- (2aS,4R,4aS,4bR,5aS,8S,8aS,10aR,10bR,14aS)-4-(Acetyloxy)-8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-11H,13H-oxireno[d]pyrano[4a(2),3a(2):3,3a]isobenzofuro[5,4-f][2]benzopyran-3,6,13(4H,5aH)-trione
-
- Inchi： 1S/C28H32O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,19-22H,6,8,10,12H2,1-5H3/t15-,16-,19+,20-,21-,22+,25-,26-,27-,28+/m0/s1
- InChI Key： YBJGIQUVRQCMSY-VZGSZHHKSA-N
- SMILES： O1[C@@H]2C(=O)O[C@@H](C3=COC=C3)[C@]3(C)CC[C@@H]4[C@@]56COC(C[C@@H]5OC(C)(C)[C@H]6C([C@@H]([C@@]4(C)[C@]132)OC(C)=O)=O)=O
Computed Properties
- Exact Mass: 528.19954721g/mol
- Monoisotopic Mass: 528.19954721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 38
- Rotatable Bond Count: 3
- Complexity: 1150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 131?2
Experimental Properties
- Color/Form: Powder
Rutaevin acetate Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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