Cas no 67991-42-8 (Mortonin D)
Mortonin D structure
Product Name:Mortonin D
CAS No:67991-42-8
MF:C29H32O8
MW:508.559589385986
CID:2034011
Update Time:2025-03-11
Mortonin D Chemical and Physical Properties
Names and Identifiers
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- Mortonin D
- (3alpha,4beta,6alpha,6abeta,7beta,10alpha,10aalpha)-10-Tetramethyl-6,7-bis(benzoyloxy)octahydro-10-hydroxy-3,4,6a 3H-3,10a-epoxy-1H-2-benzoxocin-1-one
- 3H-3,10a-Epoxy-1H-2-benzoxocin-1-one, 6,7-bis(benzoyloxy)octahydro-10-hydroxy-3,4,6a,10-tetramethyl-, (3α,4β,6α,6aβ,7β,10α,10aα)- (9CI)
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- Inchi： 1S/C29H32O8/c1-18-17-22(35-24(31)20-13-9-6-10-14-20)27(3)21(34-23(30)19-11-7-5-8-12-19)15-16-26(2,33)29(27)25(32)36-28(18,4)37-29/h5-14,18,21-22,33H,15-17H2,1-4H3/t18-,21+,22+,26+,27+,28+,29-/m1/s1
- InChI Key： QCNPTNUSTXYOQU-OZIYALGOSA-N
- SMILES： [C@]123O[C@](C)(OC1=O)[C@H](C)C[C@H](OC(C1C=CC=CC=1)=O)[C@]2(C)[C@@H](OC(C1C=CC=CC=1)=O)CC[C@@]3(O)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 37
- XLogP3: 3.835
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Boiling Point: 632.2±55.0 °C(Predicted)
- pka: 13.48±0.70(Predicted)
Mortonin D Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters
- Natural Products and Extracts Plant Extracts Plant based Mortonia latisepala
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