Cas no 1015760-93-6 (penicitrinol B)
penicitrinol B structure
Product Name:penicitrinol B
CAS No:1015760-93-6
MF:C24H28O6
MW:412.475527763367
CID:2074141
PubChem ID:24862577
Update Time:2025-04-21
penicitrinol B Chemical and Physical Properties
Names and Identifiers
-
- penicitrinol B
- (+)-Penicitrinol B
- (1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0(2,10).0(5,9).0(16,20)]icosa-2(10),4,12(20),13,15-pentaen-3-one
- 1015760-93-6
- (1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo(10.7.1.0(2,10).0(5,9).0(16,20))icosa-2(10),4,12(20),13,15-pentaen-3-one
- CHEMBL458573
- CHEBI:191934
- (1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo(10.7.1.02,10.05,9.016,20)icosa-2(10),4,12(20),13,15-pentaen-3-one
- (2R,3S,5bR,7R,8S,12bR)-10-hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one
- (1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-2(10),4,12(20),13,15-pentaen-3-one
- (2R,3S,5bR,7R,8S,12bR)-10-hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo(3,2-c)pyrano(4,3,2-kl)xanthen-5-one
-
- Inchi： 1S/C24H28O6/c1-9-13(5)28-22-18-16(8-15(25)11(3)17(9)18)29-23-19(22)21(26)12(4)20-10(2)14(6)30-24(20,23)27-7/h8-10,13-14,22,25H,1-7H3
- InChI Key： YWUROUQKOJZPEJ-UHFFFAOYSA-N
- SMILES： COC12C3OC4C5=C(C(C(OC5C=3C(=O)C(C)=C1C(C)C(C)O2)C)C)C(C)=C(O)C=4
Computed Properties
- Exact Mass: 412.18858861Da
- Monoisotopic Mass: 412.18858861Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 845
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.021
- Topological Polar Surface Area: 74.2?2
penicitrinol B Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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