Cas no 110241-25-3 (Chol-8-en-24-oic acid,3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, (3b,4a,5a,7b)-)
110241-25-3 structure
Product Name:Chol-8-en-24-oic acid,3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, (3b,4a,5a,7b)-
CAS No:110241-25-3
MF:C27H40O7
MW:476.60230922699
CID:208259
PubChem ID:14109388
Update Time:2024-03-01
Chol-8-en-24-oic acid,3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, (3b,4a,5a,7b)- Chemical and Physical Properties
Names and Identifiers
-
- Chol-8-en-24-oic acid,3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, (3b,4a,5a,7b)-
- Lucidenicacid H
- 3b,7b,28-Trihydroxy-11,15-dioxo-25,26,27-trisnorlanost-8-en-24-oic acid
- 4-[3,7-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 3b,7b-Dihydroxy-4a-hydroxymethyl-4b,14a-dimethyl-11,15-dioxo-5a-chol-8-en-24-oic acid, 9CI
- CHEBI:168742
- Lucidenic acid H
- 11,15-Dioxo-3beta,7beta-dihydroxy-5alpha-lanost-8-en-24-oic acid
- DTXSID401316593
- 110241-25-3
-
- 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/h14-16,18-19,28-29,31H,6-13H2,1-5H3,(H,33,34)/t14-,15-,16+,18-,19+,24+,25-,26-,27?/m1/s1
- InChI Key： FWZRMYARQHUFQY-OXSHRBHHSA-N
- SMILES： [C@@H]1(O)[C@@](CO)(C)[C@@]2([H])[C@](C)(CC1)C1=C(C3(C)[C@@](CC1=O)(C)[C@@H]([C@H](C)CCC(O)=O)CC3=O)[C@@H](O)C2
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
- XLogP3: 1.7
- Topological Polar Surface Area: 132?2
Chol-8-en-24-oic acid,3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, (3b,4a,5a,7b)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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