Cas no 60036-92-2 ((20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester)
60036-92-2 structure
Product Name:(20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester
CAS No:60036-92-2
MF:C29H34O5
MW:462.577269077301
CID:528211
Update Time:2024-02-29
(20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Dibenzo[a,i]fluorene-2-carboxylicacid,2,3,4,4a,5,6,6a,11,13a,13b-decahydro-10-hydroxy-2,4a,6a,9,13,13a-hexamethyl-3,11-dioxo-,methyl ester, (2S,4aS,6aR,13aR,13bR)-
- (20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester
- 1H-Dibenzo[a,i]fluorene-2-carboxylic acid,2,3,4,4a,5,6,6a,11,13a,13b-decahydro-10-hydroxy-2,4a,6a,9,13,13a-hexamethyl-3,11-dioxo-,methyl ester, [2S-(2a,4ab,6ab,13aa,13bb)]-
- D:C-Friedo-C,24,25-trinoroleana-1(10),3,5,7,9(11)-pentaen-29-oicacid, 3-hydroxy-11-methyl-2,21-dioxo-, methyl ester, (20a)-
- Salaciaquinonemethide
- Salacia quinonemethide
- CID 101967098
-
- Inchi： 1S/C29H34O5/c1-15-17-8-9-19-23(18(17)12-20(30)24(15)32)16(2)29(6)21-13-27(4,25(33)34-7)22(31)14-26(21,3)10-11-28(19,29)5/h8-9,12,21,32H,10-11,13-14H2,1-7H3/t21-,26+,27+,28-,29+/m1/s1
- InChI Key： WQWVVEFJOYBRTQ-DDOYSYFBSA-N
- SMILES： O=C1[C@](C(=O)OC)(C)C[C@@H]2[C@](C)(C1)CC[C@]1(C)C3=CC=C4C(C)=C(C(C=C4C3=C(C)[C@@]21C)=O)O
Computed Properties
- Exact Mass: 462.241
- Monoisotopic Mass: 462.241
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 1240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.7
(20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester 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
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
60036-92-2 ((20S)-3-Hydroxy-11-methyl-2,21-dioxo-C,24,25-trinor-D:C-friedoolean-1(10),3,5,7,9(11)-penten-29-oic acid methyl ester) Related Products
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